#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iv9 s ALA 652 N 0.00 3.41 0.56 -1.58 0.00 -1.26 -4.93 121.76 117.95 3iv9 s ALA 652 Ca 0.00 -1.40 0.39 0.00 0.00 0.00 0.00 51.96 50.95 3iv9 s ALA 652 Cb 0.00 -3.12 1.53 0.00 0.00 0.00 0.00 23.12 21.54 3iv9 s ALA 652 CO 0.00 -1.62 1.69 1.49 0.00 0.00 0.00 175.76 177.32 3iv9 h GLU 653 N 8.75 0.00 0.00 0.00 4.57 -2.07 0.46 114.58 126.30 3iv9 h GLU 653 Ca -0.26 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 3iv9 h GLU 653 Cb 1.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3iv9 h GLU 653 CO 0.82 0.00 -0.95 0.11 -1.18 0.00 0.00 179.01 177.81 3iv9 h TRP 654 N 0.00 0.00 -0.12 0.92 5.08 -2.01 -3.29 115.95 116.53 3iv9 h TRP 654 Ca 0.64 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.61 3iv9 h TRP 654 Cb 2.70 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.86 3iv9 h TRP 654 CO 0.00 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 177.70 3iv9 n ARG 655 N -2.64 1.29 -1.04 0.12 5.12 0.16 -3.57 116.66 116.10 3iv9 n ARG 655 Ca 0.00 -0.45 -0.06 0.00 -1.93 0.00 0.00 57.85 55.41 3iv9 n ARG 655 Cb 0.54 -1.13 0.16 0.00 -1.16 0.00 0.00 32.46 30.87 3iv9 n ARG 655 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3iv9 n SER 656 N -0.16 2.95 -4.57 0.55 3.41 -1.15 -4.95 113.62 109.70 3iv9 n SER 656 Ca 0.05 -3.84 -0.28 0.00 -0.26 0.00 0.00 58.87 54.55 3iv9 n SER 656 Cb 0.11 -0.53 -0.09 0.00 -0.26 0.00 0.00 64.21 63.44 3iv9 n SER 656 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3iv9 s TRP 657 N -3.36 2.11 0.24 7.33 0.51 -1.23 -5.09 118.94 119.44 3iv9 s TRP 657 Ca 0.44 -0.90 -0.30 0.00 -2.12 0.00 0.00 56.10 53.22 3iv9 s TRP 657 Cb 0.40 -1.55 -0.10 0.00 -0.81 0.00 0.00 33.47 31.40 3iv9 s TRP 657 CO -0.02 0.20 1.47 -1.83 -0.51 0.00 0.00 176.95 176.26 3iv9 s GLU 658 N -3.80 4.25 0.30 4.98 -1.05 -1.26 -4.80 118.70 117.32 3iv9 s GLU 658 Ca 0.24 2.33 0.10 0.00 -0.15 0.00 0.00 54.97 57.49 3iv9 s GLU 658 Cb 0.06 -3.11 0.54 0.00 -0.44 0.00 0.00 34.13 31.19 3iv9 s GLU 658 CO 0.12 -0.46 1.17 1.55 0.95 0.00 0.00 175.26 178.58 3iv9 n VAL 659 N 2.55 0.53 0.72 1.83 3.14 -1.26 0.92 118.33 126.76 3iv9 n VAL 659 Ca 0.08 0.73 0.12 0.00 -2.96 0.00 0.00 64.34 62.31 3iv9 n VAL 659 Cb 0.40 -1.73 0.19 0.00 -1.06 0.00 0.00 33.84 31.64 3iv9 n VAL 659 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3iv9 n ASN 660 N -1.95 0.61 -0.00 6.55 4.13 -1.26 -2.67 115.26 120.67 3iv9 n ASN 660 Ca -0.01 -0.04 0.07 0.00 1.68 0.00 0.00 54.58 56.28 3iv9 n ASN 660 Cb 0.39 0.26 -0.09 0.00 -1.54 0.00 0.00 39.78 38.80 3iv9 n ASN 660 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3iv9 n LYS 661 N -1.87 1.70 0.07 3.52 5.02 0.26 -3.90 118.16 122.97 3iv9 n LYS 661 Ca 0.04 -0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.35 3iv9 n LYS 661 Cb 0.40 -1.22 -0.04 0.00 -0.02 0.00 0.00 35.03 34.16 3iv9 n LYS 661 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iv9 n ARG 662 N -1.58 0.61 0.01 1.97 1.74 -0.84 -3.05 116.66 115.53 3iv9 n ARG 662 Ca 0.01 0.15 -0.15 0.00 -0.77 0.00 0.00 57.85 57.09 3iv9 n ARG 662 Cb 0.27 -1.81 -0.04 0.00 -1.02 0.00 0.00 32.46 29.86 3iv9 n ARG 662 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3iv9 h LEU 663 N 0.00 0.77 -1.12 0.55 5.85 -1.67 0.21 115.31 119.90 3iv9 h LEU 663 Ca -0.06 -0.52 -0.08 0.00 0.84 0.00 0.00 57.88 58.06 3iv9 h LEU 663 Cb 1.22 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3iv9 h LEU 663 CO 0.02 1.31 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.89 3iv9 h GLU 664 N 0.43 0.37 -0.09 1.25 5.08 -1.67 -0.58 114.58 119.37 3iv9 h GLU 664 Ca -0.05 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3iv9 h GLU 664 Cb 1.42 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 3iv9 h GLU 664 CO 0.15 0.57 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.75 3iv9 h TYR 665 N 0.34 0.23 -0.42 4.33 5.03 -1.39 -1.09 116.97 124.00 3iv9 h TYR 665 Ca 0.06 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3iv9 h TYR 665 Cb 0.56 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.76 3iv9 h TYR 665 CO 0.01 0.59 0.26 0.66 -1.32 0.00 0.00 178.16 178.36 3iv9 h SER 666 N -0.20 0.48 1.80 -2.11 4.64 -0.28 0.67 113.55 118.55 3iv9 h SER 666 Ca 0.02 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iv9 h SER 666 Cb 0.54 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3iv9 h SER 666 CO 0.02 0.36 0.00 -0.07 -0.87 0.00 0.00 176.83 176.27 3iv9 h LEU 667 N 0.57 0.00 0.00 5.97 -0.00 -0.97 0.26 115.31 121.14 3iv9 h LEU 667 Ca 0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.79 3iv9 h LEU 667 Cb -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.58 3iv9 h LEU 667 CO -0.03 0.00 -1.68 0.52 -0.00 0.00 0.00 178.44 177.25 3iv9 n VAL 668 N -2.96 1.51 1.63 1.22 0.31 -0.34 -4.31 118.33 115.38 3iv9 n VAL 668 Ca 0.04 -0.11 0.01 0.00 -0.01 0.00 0.00 64.34 64.26 3iv9 n VAL 668 Cb 0.49 -2.10 0.02 0.00 -0.91 0.00 0.00 33.84 31.34 3iv9 n VAL 668 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3iv9 n LYS 669 N -4.38 1.15 -3.37 5.55 4.76 0.22 -4.86 118.16 117.22 3iv9 n LYS 669 Ca -0.34 -0.18 -0.24 0.00 -2.87 0.00 0.00 58.31 54.67 3iv9 n LYS 669 Cb 0.68 -1.15 0.02 0.00 -1.84 0.00 0.00 35.03 32.74 3iv9 n LYS 669 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iv9 n GLY 670 N 0.46 -0.67 2.90 0.72 0.00 -0.83 -4.97 105.19 102.80 3iv9 n GLY 670 Ca 0.02 0.98 -0.25 0.00 0.00 0.00 0.00 46.02 46.77 3iv9 n GLY 670 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iv9 s ILE 671 N -2.26 0.89 -0.48 -0.61 1.01 0.87 -4.97 121.20 115.65 3iv9 s ILE 671 Ca 0.22 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.70 3iv9 s ILE 671 Cb -0.03 -0.91 0.18 0.00 0.01 0.00 0.00 42.46 41.71 3iv9 s ILE 671 CO 0.84 0.33 1.15 0.35 0.00 0.00 0.00 174.94 177.61 3iv9 n THR 672 N 4.69 1.07 -0.04 2.92 -2.24 -1.26 -4.39 114.28 115.03 3iv9 n THR 672 Ca -0.15 -1.06 -0.14 0.00 -2.27 0.00 0.00 64.05 60.43 3iv9 n THR 672 Cb 0.50 0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 69.10 3iv9 n THR 672 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3iv9 h GLU 673 N 1.08 0.28 -0.39 -0.78 5.08 -1.99 -3.24 114.58 114.63 3iv9 h GLU 673 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3iv9 h GLU 673 Cb 0.66 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3iv9 h GLU 673 CO 0.01 0.78 0.00 1.19 -1.00 0.00 0.00 179.01 179.98 3iv9 n PHE 674 N -4.56 1.29 -0.07 4.33 3.72 -1.26 -4.67 117.46 116.24 3iv9 n PHE 674 Ca -0.07 -0.79 -0.12 0.00 -0.05 0.00 0.00 57.45 56.42 3iv9 n PHE 674 Cb 0.40 -0.35 -0.05 0.00 -0.94 0.00 0.00 39.48 38.54 3iv9 n PHE 674 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3iv9 h ILE 675 N 2.63 1.27 -0.11 4.37 6.09 -1.76 -0.25 117.51 129.76 3iv9 h ILE 675 Ca 0.00 -0.96 -0.01 0.00 -1.37 0.00 0.00 64.86 62.52 3iv9 h ILE 675 Cb 1.56 1.47 -0.01 0.00 0.47 0.00 0.00 36.82 40.32 3iv9 h ILE 675 CO 0.29 0.30 0.03 -0.33 -3.07 0.00 0.00 178.15 175.36 3iv9 h GLU 676 N 0.14 0.14 0.16 2.19 5.08 -1.83 0.20 114.58 120.67 3iv9 h GLU 676 Ca 0.06 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.09 3iv9 h GLU 676 Cb 0.45 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.68 3iv9 h GLU 676 CO 0.02 0.14 -1.58 -0.56 -1.00 0.00 0.00 179.01 176.02 3iv9 h GLN 677 N 0.14 0.34 0.00 2.33 3.07 -1.89 -1.25 115.11 117.86 3iv9 h GLN 677 Ca 0.04 -0.58 0.00 0.00 0.09 0.00 0.00 58.65 58.20 3iv9 h GLN 677 Cb 0.06 0.22 0.00 0.00 0.08 0.00 0.00 27.48 27.83 3iv9 h GLN 677 CO -0.00 1.28 0.00 -0.25 0.09 0.00 0.00 178.83 179.94 3iv9 n ASP 678 N -3.74 0.00 -0.05 0.06 10.43 -0.11 0.56 116.55 123.69 3iv9 n ASP 678 Ca -0.24 -0.04 -0.04 0.00 2.57 0.00 0.00 54.79 57.03 3iv9 n ASP 678 Cb 1.00 -0.24 -0.09 0.00 1.84 0.00 0.00 41.12 43.62 3iv9 n ASP 678 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 3iv9 n THR 679 N -1.24 0.69 0.07 -3.53 -1.04 0.68 -4.22 114.28 105.69 3iv9 n THR 679 Ca 0.09 -0.47 -0.21 0.00 -2.04 0.00 0.00 64.05 61.42 3iv9 n THR 679 Cb 0.12 -0.56 -0.15 0.00 -1.82 0.00 0.00 70.33 67.93 3iv9 n THR 679 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3iv9 h GLU 680 N 0.00 0.36 -0.40 -2.82 4.57 -0.52 -2.74 114.58 113.03 3iv9 h GLU 680 Ca -0.27 -0.61 0.01 0.00 -1.18 0.00 0.00 59.36 57.31 3iv9 h GLU 680 Cb 1.56 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 30.35 3iv9 h GLU 680 CO 0.01 1.26 0.24 0.93 -1.18 0.00 0.00 179.01 180.27 3iv9 h GLU 681 N 0.10 0.47 0.00 1.92 5.08 -0.14 0.35 114.58 122.36 3iv9 h GLU 681 Ca -0.32 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3iv9 h GLU 681 Cb 2.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3iv9 h GLU 681 CO 0.17 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.49 3iv9 h ALA 682 N 1.17 1.00 0.00 3.43 0.00 -1.73 -0.05 119.26 123.07 3iv9 h ALA 682 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 3iv9 h ALA 682 Cb -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3iv9 h ALA 682 CO -0.07 0.00 -0.99 -0.09 0.00 0.00 0.00 179.25 178.10 3iv9 h ARG 683 N 0.00 0.00 0.09 0.00 2.43 -0.58 -3.07 114.38 113.25 3iv9 h ARG 683 Ca 0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 3iv9 h ARG 683 Cb 0.55 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3iv9 h ARG 683 CO 0.00 0.69 -1.63 1.96 -1.51 0.00 0.00 179.97 179.48 3iv9 h GLN 684 N 0.00 0.19 -0.25 0.20 4.20 -0.02 -3.17 115.11 116.26 3iv9 h GLN 684 Ca -0.06 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.32 3iv9 h GLN 684 Cb 1.66 0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.56 3iv9 h GLN 684 CO 0.09 1.00 0.00 1.04 -0.67 0.00 0.00 178.83 180.30 3iv9 n GLN 685 N -3.37 0.89 -4.74 1.46 6.02 -0.07 -4.68 117.38 112.89 3iv9 n GLN 685 Ca -0.19 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.56 3iv9 n GLN 685 Cb 1.04 -1.12 -0.15 0.00 1.02 0.00 0.00 30.24 31.03 3iv9 n GLN 685 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iv9 s ALA 686 N -1.72 1.50 0.00 -1.58 0.00 -1.16 -5.00 121.76 113.80 3iv9 s ALA 686 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3iv9 s ALA 686 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3iv9 s ALA 686 CO 0.00 0.35 0.07 0.25 0.00 0.00 0.00 175.76 176.43 3iv9 n THR 687 N 2.36 0.00 -2.71 0.00 -2.24 -1.26 -4.74 114.28 105.69 3iv9 n THR 687 Ca -0.16 0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 61.51 3iv9 n THR 687 Cb 0.54 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 3iv9 n THR 687 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iv9 s ARG 688 N -0.15 4.26 -0.69 -0.78 3.03 -1.26 -4.95 118.95 118.41 3iv9 s ARG 688 Ca 0.00 1.27 -0.25 0.00 2.03 0.00 0.00 55.73 58.78 3iv9 s ARG 688 Cb 0.00 -3.63 -0.13 0.00 -1.03 0.00 0.00 34.95 30.16 3iv9 s ARG 688 CO 0.00 -0.58 2.42 -2.30 -1.13 0.00 0.00 175.30 173.71 3iv9 n PRO 689 N 6.13 0.70 0.00 3.89 -0.02 -1.26 -2.78 135.00 141.65 3iv9 n PRO 689 Ca 0.10 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 3iv9 n PRO 689 Cb 0.47 -3.33 0.00 0.00 -0.02 0.00 0.00 33.50 30.62 3iv9 n PRO 689 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iv9 h GLU 691 N 0.00 0.08 -0.32 0.00 5.08 -1.91 -1.92 114.58 115.58 3iv9 h GLU 691 Ca 0.00 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3iv9 h GLU 691 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3iv9 h GLU 691 CO 0.00 0.58 -0.26 0.28 -1.00 0.00 0.00 179.01 178.61 3iv9 h VAL 692 N 0.06 1.29 -0.24 3.13 2.07 -1.86 1.30 116.25 122.00 3iv9 h VAL 692 Ca -0.00 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.15 3iv9 h VAL 692 Cb 0.94 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 3iv9 h VAL 692 CO 0.07 0.46 -0.07 0.40 0.02 0.00 0.00 177.57 178.45 3iv9 h ILE 693 N 0.52 0.73 -0.01 4.57 1.08 -1.86 -0.79 117.51 121.75 3iv9 h ILE 693 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 3iv9 h ILE 693 Cb 0.83 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 3iv9 h ILE 693 CO 0.07 0.00 -0.06 -0.62 -0.69 0.00 0.00 178.15 176.84 3iv9 n GLU 694 N -5.24 1.39 0.00 2.37 1.02 -0.76 -3.43 120.64 115.99 3iv9 n GLU 694 Ca -0.01 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 3iv9 n GLU 694 Cb 0.16 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3iv9 n GLU 694 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iv9 n GLY 695 N 1.21 0.53 0.50 0.62 0.00 0.44 -4.64 105.19 103.85 3iv9 n GLY 695 Ca 0.17 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.51 3iv9 n GLY 695 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iv9 h PRO 696 N 0.00 0.00 0.62 1.61 0.13 -1.76 1.05 132.00 133.64 3iv9 h PRO 696 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3iv9 h PRO 696 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 3iv9 h PRO 696 CO 0.00 0.00 -0.30 -0.07 -0.23 0.00 0.00 178.00 177.40 3iv9 h LEU 697 N 0.00 -0.70 -0.44 1.56 4.07 -1.67 -1.29 115.31 116.84 3iv9 h LEU 697 Ca 0.48 -0.02 -0.09 0.00 0.08 0.00 0.00 57.88 58.32 3iv9 h LEU 697 Cb 2.03 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 43.94 3iv9 h LEU 697 CO -0.01 -0.39 -0.42 0.24 -1.08 0.00 0.00 178.44 176.78 3iv9 h MET 698 N -1.01 0.00 0.00 1.13 2.86 -1.22 0.23 114.93 116.92 3iv9 h MET 698 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3iv9 h MET 698 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3iv9 h MET 698 CO 0.14 0.42 0.00 -0.25 1.06 0.00 0.00 176.91 178.28 3iv9 n ASP 699 N -3.33 0.00 -0.04 1.22 10.43 0.35 -0.95 116.55 124.22 3iv9 n ASP 699 Ca 0.01 -0.03 -0.06 0.00 2.57 0.00 0.00 54.79 57.28 3iv9 n ASP 699 Cb 0.62 -0.26 -0.04 0.00 1.84 0.00 0.00 41.12 43.28 3iv9 n ASP 699 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3iv9 n GLY 700 N 0.29 -0.15 0.34 0.44 0.00 -0.49 -4.31 105.19 101.32 3iv9 n GLY 700 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 3iv9 n GLY 700 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3iv9 h MET 701 N 0.00 1.14 0.00 1.61 2.86 -0.33 0.81 114.93 121.01 3iv9 h MET 701 Ca -0.20 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 3iv9 h MET 701 Cb 1.32 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 3iv9 h MET 701 CO -0.03 0.89 -0.09 -0.91 1.06 0.00 0.00 176.91 177.83 3iv9 h ASN 702 N 1.12 0.00 0.08 1.22 -0.26 -1.29 0.39 115.58 116.84 3iv9 h ASN 702 Ca 0.27 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.90 3iv9 h ASN 702 Cb 0.15 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.42 3iv9 h ASN 702 CO -0.03 0.09 -0.48 0.58 -1.06 0.00 0.00 177.43 176.53 3iv9 h VAL 703 N 0.00 1.63 -0.77 2.81 2.07 -0.82 -1.00 116.25 120.18 3iv9 h VAL 703 Ca -0.00 -2.45 0.10 0.00 0.82 0.00 0.00 66.70 65.16 3iv9 h VAL 703 Cb 0.36 3.28 -0.07 0.00 -1.52 0.00 0.00 31.29 33.33 3iv9 h VAL 703 CO 0.01 0.67 0.41 0.58 0.02 0.00 0.00 177.57 179.26 3iv9 h VAL 704 N -0.62 0.86 0.48 2.57 2.07 0.14 0.10 116.25 121.84 3iv9 h VAL 704 Ca -0.08 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3iv9 h VAL 704 Cb 1.38 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3iv9 h VAL 704 CO 0.09 0.12 -0.23 1.23 0.02 0.00 0.00 177.57 178.80 3iv9 h GLY 705 N 0.68 -0.67 0.19 2.17 0.00 -0.30 0.34 103.07 105.47 3iv9 h GLY 705 Ca 0.38 0.25 0.14 0.00 0.00 0.00 0.00 47.33 48.10 3iv9 h GLY 705 CO -0.27 -0.24 0.34 -0.55 0.00 0.00 0.00 176.54 175.82 3iv9 h ASP 706 N -0.97 0.36 0.11 0.19 3.45 -0.85 0.28 116.42 119.01 3iv9 h ASP 706 Ca -0.07 0.10 -0.12 0.00 0.43 0.00 0.00 57.03 57.38 3iv9 h ASP 706 Cb 0.59 0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 3iv9 h ASP 706 CO 0.11 0.15 -0.41 -0.07 -1.57 0.00 0.00 179.24 177.44 3iv9 h LEU 707 N 0.50 0.40 -0.18 1.55 3.38 -0.82 -2.54 115.31 117.61 3iv9 h LEU 707 Ca 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3iv9 h LEU 707 Cb 0.63 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3iv9 h LEU 707 CO -0.38 0.77 0.09 0.15 0.09 0.00 0.00 178.44 179.16 3iv9 h PHE 708 N 0.32 0.26 0.00 1.13 3.57 0.16 0.37 116.94 122.76 3iv9 h PHE 708 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3iv9 h PHE 708 Cb 0.86 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.52 3iv9 h PHE 708 CO 0.02 0.27 0.00 0.41 -2.23 0.00 0.00 178.31 176.79 3iv9 n GLY 709 N -0.85 -1.13 1.18 2.40 0.00 0.66 -2.10 105.19 105.36 3iv9 n GLY 709 Ca -0.04 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3iv9 n GLY 709 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iv9 n GLU 710 N -1.49 2.60 -1.89 1.61 1.02 -0.97 -4.92 120.64 116.60 3iv9 n GLU 710 Ca 0.05 -2.42 -0.13 0.00 -0.02 0.00 0.00 57.16 54.64 3iv9 n GLU 710 Cb 0.22 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 3iv9 n GLU 710 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iv9 n GLY 711 N 1.46 0.45 1.13 0.62 0.00 -0.89 -4.87 105.19 103.09 3iv9 n GLY 711 Ca 0.21 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.93 3iv9 n GLY 711 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iv9 n LYS 712 N -2.38 2.84 -3.72 1.61 5.02 0.13 -4.95 118.16 116.70 3iv9 n LYS 712 Ca -0.14 -2.48 -0.07 0.00 -2.02 0.00 0.00 58.31 53.60 3iv9 n LYS 712 Cb 0.53 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 3iv9 n LYS 712 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3iv9 s MET 713 N -1.07 1.43 0.08 1.97 -1.94 -1.13 -4.79 119.30 113.85 3iv9 s MET 713 Ca 0.41 -0.74 -0.05 0.00 -1.71 0.00 0.00 55.69 53.60 3iv9 s MET 713 Cb 0.22 0.52 -0.02 0.00 2.01 0.00 0.00 34.83 37.56 3iv9 s MET 713 CO 0.27 -0.65 0.09 -0.06 -0.01 0.00 0.00 175.02 174.66 3iv9 s PHE 714 N -3.62 0.39 0.24 -0.03 0.08 -1.26 -4.68 117.98 109.09 3iv9 s PHE 714 Ca 0.09 -0.86 -0.08 0.00 0.12 0.00 0.00 56.93 56.20 3iv9 s PHE 714 Cb -0.03 -0.24 0.41 0.00 -0.57 0.00 0.00 43.02 42.59 3iv9 s PHE 714 CO 0.01 -0.48 1.63 1.25 -0.10 0.00 0.00 175.22 177.53 3iv9 h LEU 715 N 2.93 -0.38 -1.32 -0.37 5.85 -1.86 0.21 115.31 120.36 3iv9 h LEU 715 Ca -0.34 0.20 0.27 0.00 0.84 0.00 0.00 57.88 58.84 3iv9 h LEU 715 Cb 1.17 0.35 -0.10 0.00 0.37 0.00 0.00 40.66 42.46 3iv9 h LEU 715 CO 0.60 -0.18 0.66 -0.65 -0.34 0.00 0.00 178.44 178.53 3iv9 h PRO 716 N 0.09 0.40 0.17 5.25 0.11 -1.94 0.13 132.00 136.21 3iv9 h PRO 716 Ca 0.40 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 66.21 3iv9 h PRO 716 Cb 0.69 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 31.73 3iv9 h PRO 716 CO -0.67 0.26 -1.32 1.96 -0.21 0.00 0.00 178.00 178.02 3iv9 h GLN 717 N 0.41 0.36 -0.32 1.05 4.20 -1.11 -3.26 115.11 116.45 3iv9 h GLN 717 Ca 0.60 -0.62 0.07 0.00 0.06 0.00 0.00 58.65 58.77 3iv9 h GLN 717 Cb 1.49 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 29.49 3iv9 h GLN 717 CO -0.32 1.30 0.22 0.28 -0.67 0.00 0.00 178.83 179.64 3iv9 h VAL 718 N -0.14 0.89 0.00 -0.54 2.07 0.63 0.20 116.25 119.36 3iv9 h VAL 718 Ca -0.26 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 3iv9 h VAL 718 Cb 1.89 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 3iv9 h VAL 718 CO 0.16 0.02 -0.63 0.58 0.02 0.00 0.00 177.57 177.72 3iv9 h VAL 719 N 0.10 1.45 0.00 2.57 2.07 -0.89 0.19 116.25 121.73 3iv9 h VAL 719 Ca 0.15 -2.16 -0.10 0.00 0.82 0.00 0.00 66.70 65.40 3iv9 h VAL 719 Cb 0.47 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3iv9 h VAL 719 CO -0.01 0.62 -0.50 0.11 0.02 0.00 0.00 177.57 177.81 3iv9 h LYS 720 N 0.00 0.00 0.01 1.57 1.57 -0.75 -2.73 116.57 116.23 3iv9 h LYS 720 Ca -0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3iv9 h LYS 720 Cb 1.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.44 3iv9 h LYS 720 CO 0.08 0.50 -0.58 0.77 -0.57 0.00 0.00 179.45 179.65 3iv9 h SER 721 N 0.00 0.49 0.23 0.86 0.02 -0.45 -3.11 113.55 111.59 3iv9 h SER 721 Ca -0.00 -0.78 -0.01 0.00 -0.84 0.00 0.00 61.79 60.15 3iv9 h SER 721 Cb 1.33 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 3iv9 h SER 721 CO 0.06 1.21 -0.05 0.00 -1.14 0.00 0.00 176.83 176.92 3iv9 h ALA 722 N 0.29 1.27 -0.21 3.77 0.00 -0.65 -1.67 119.26 122.06 3iv9 h ALA 722 Ca -0.08 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3iv9 h ALA 722 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3iv9 h ALA 722 CO 0.11 0.06 -0.21 -0.09 0.00 0.00 0.00 179.25 179.13 3iv9 h ARG 723 N 0.00 0.51 -0.43 0.00 2.43 -1.42 -1.23 114.38 114.23 3iv9 h ARG 723 Ca -0.00 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 58.83 3iv9 h ARG 723 Cb 0.17 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3iv9 h ARG 723 CO 0.01 0.85 -0.01 0.28 -1.51 0.00 0.00 179.97 179.58 3iv9 h VAL 724 N 0.18 1.23 0.00 0.20 2.07 -1.29 0.85 116.25 119.50 3iv9 h VAL 724 Ca 0.03 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 3iv9 h VAL 724 Cb 0.75 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3iv9 h VAL 724 CO 0.05 0.34 -0.39 -0.03 0.02 0.00 0.00 177.57 177.56 3iv9 h MET 725 N 0.67 0.00 0.00 1.57 1.85 -1.21 0.02 114.93 117.82 3iv9 h MET 725 Ca 0.13 0.00 -0.24 0.00 -0.61 0.00 0.00 59.70 58.98 3iv9 h MET 725 Cb 0.44 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.42 3iv9 h MET 725 CO 0.02 0.39 -1.54 0.87 -0.40 0.00 0.00 176.91 176.24 3iv9 h LYS 726 N 0.00 0.00 0.00 0.39 1.57 -0.67 -2.63 116.57 115.22 3iv9 h LYS 726 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iv9 h LYS 726 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3iv9 h LYS 726 CO 0.05 0.46 -0.06 1.96 -0.57 0.00 0.00 179.45 181.29 3iv9 h GLN 727 N 0.00 0.00 0.13 3.15 4.20 -0.74 0.30 115.11 122.15 3iv9 h GLN 727 Ca -0.22 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.19 3iv9 h GLN 727 Cb 1.85 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.63 3iv9 h GLN 727 CO 0.07 0.00 -1.44 0.00 -0.67 0.00 0.00 178.83 176.79 3iv9 h ALA 728 N 2.16 0.20 0.00 3.87 0.00 -1.05 -3.22 119.26 121.22 3iv9 h ALA 728 Ca 0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 54.91 53.70 3iv9 h ALA 728 Cb 0.92 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3iv9 h ALA 728 CO 0.00 1.07 -0.89 0.28 0.00 0.00 0.00 179.25 179.72 3iv9 h VAL 729 N 0.07 1.31 0.00 0.00 2.07 -1.36 -2.86 116.25 115.49 3iv9 h VAL 729 Ca -0.21 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.42 3iv9 h VAL 729 Cb 2.01 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 34.42 3iv9 h VAL 729 CO 0.18 0.75 0.00 0.00 0.02 0.00 0.00 177.57 178.52 3iv9 n ALA 730 N -2.32 2.26 -0.05 1.67 0.00 0.11 -1.56 120.51 120.62 3iv9 n ALA 730 Ca -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 3iv9 n ALA 730 Cb 0.87 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 3iv9 n ALA 730 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3iv9 n TYR 731 N -1.01 0.00 0.49 0.00 9.36 -1.16 -4.53 117.16 120.31 3iv9 n TYR 731 Ca 0.15 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.44 3iv9 n TYR 731 Cb 0.07 -0.43 0.20 0.00 -0.63 0.00 0.00 39.34 38.56 3iv9 n TYR 731 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3iv9 n LEU 732 N -2.56 2.58 -0.05 2.98 4.77 -1.01 -4.15 117.00 119.54 3iv9 n LEU 732 Ca -0.17 -1.29 -0.13 0.00 -0.03 0.00 0.00 56.01 54.39 3iv9 n LEU 732 Cb 0.75 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 3iv9 n LEU 732 CO 0.15 0.57 0.58 -0.33 -1.33 0.00 0.00 177.39 177.02 3iv9 h GLU 733 N 2.53 0.38 0.03 3.23 5.08 -1.52 -3.24 114.58 121.07 3iv9 h GLU 733 Ca 0.00 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3iv9 h GLU 733 Cb 0.71 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3iv9 h GLU 733 CO 0.05 0.78 -0.01 -1.35 -1.00 0.00 0.00 179.01 177.47 3iv9 h PRO 734 N -0.00 -0.03 0.00 2.33 0.11 -1.88 -1.49 132.00 131.03 3iv9 h PRO 734 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3iv9 h PRO 734 Cb 0.73 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3iv9 h PRO 734 CO 0.04 0.18 0.00 1.19 -0.21 0.00 0.00 178.00 179.20 3iv9 n PHE 735 N -5.01 0.00 -0.02 0.65 3.72 -1.25 -0.29 117.46 115.26 3iv9 n PHE 735 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3iv9 n PHE 735 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3iv9 n PHE 735 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3iv9 n ILE 736 N -0.79 0.00 0.04 4.37 5.41 -1.07 -3.94 119.36 123.38 3iv9 n ILE 736 Ca 0.04 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.38 3iv9 n ILE 736 Cb 0.02 1.02 -0.07 0.00 -0.71 0.00 0.00 39.64 39.90 3iv9 n ILE 736 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3iv9 h GLU 737 N 0.00 0.00 -0.01 0.38 5.08 0.43 -2.14 114.58 118.31 3iv9 h GLU 737 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iv9 h GLU 737 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3iv9 h GLU 737 CO 0.00 0.29 -0.33 0.00 -1.00 0.00 0.00 179.01 177.97 3iv9 n ALA 738 N -2.38 3.19 -2.71 3.43 0.00 -0.81 -4.40 120.51 116.83 3iv9 n ALA 738 Ca -0.09 -0.55 -0.06 0.00 0.00 0.00 0.00 53.44 52.73 3iv9 n ALA 738 Cb 0.82 -0.59 0.04 0.00 0.00 0.00 0.00 19.45 19.72 3iv9 n ALA 738 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iv9 n SER 739 N -0.06 1.43 -4.70 0.00 2.88 -1.25 -5.09 113.62 106.84 3iv9 n SER 739 Ca 0.07 -2.51 -0.55 0.00 -1.33 0.00 0.00 58.87 54.54 3iv9 n SER 739 Cb 0.36 -0.50 -0.07 0.00 -0.75 0.00 0.00 64.21 63.25 3iv9 n SER 739 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3iv9 n LYS 740 N -0.22 1.36 0.00 -1.46 5.02 -0.80 -4.65 118.16 117.40 3iv9 n LYS 740 Ca 0.08 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 3iv9 n LYS 740 Cb 0.81 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 3iv9 n LYS 740 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3iv9 n GLU 741 N 5.38 0.19 0.00 1.97 1.02 -1.26 -5.04 120.64 122.91 3iv9 n GLU 741 Ca 0.25 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3iv9 n GLU 741 Cb 0.17 -0.52 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 3iv9 n GLU 741 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3iv9 n GLN 742 N -0.06 0.00 -1.17 3.49 3.00 -1.26 -4.83 117.38 116.55 3iv9 n GLN 742 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3iv9 n GLN 742 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.38 3iv9 n GLN 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3iv9 s LYS 744 N -3.79 3.76 0.00 0.00 1.02 -1.26 -5.07 119.74 114.40 3iv9 s LYS 744 Ca 0.00 1.43 0.00 0.00 0.02 0.00 0.00 55.97 57.42 3iv9 s LYS 744 Cb 0.00 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 3iv9 s LYS 744 CO 0.00 -0.48 0.00 0.25 -0.92 0.00 0.00 175.35 174.20 3iv9 n THR 745 N -0.93 0.00 0.17 2.17 -2.24 -1.26 -4.95 114.28 107.24 3iv9 n THR 745 Ca 0.09 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 3iv9 n THR 745 Cb 0.52 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.84 3iv9 n THR 745 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3iv9 n ASN 746 N 0.00 2.38 0.00 3.42 4.13 -1.03 -5.01 115.26 119.14 3iv9 n ASN 746 Ca 0.00 -1.71 0.00 0.00 1.68 0.00 0.00 54.58 54.55 3iv9 n ASN 746 Cb 0.00 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 3iv9 n ASN 746 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iv9 n GLY 747 N 0.57 4.05 3.73 7.41 0.00 -1.26 -4.89 105.19 114.80 3iv9 n GLY 747 Ca 0.09 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 3iv9 n GLY 747 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iv9 s LYS 748 N -4.25 2.73 -0.18 1.61 2.20 -1.26 -1.25 119.74 119.34 3iv9 s LYS 748 Ca 0.00 -0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 54.71 3iv9 s LYS 748 Cb 0.00 -2.64 0.05 0.00 -1.51 0.00 0.00 37.83 33.73 3iv9 s LYS 748 CO 0.00 0.56 0.46 1.41 -0.36 0.00 0.00 175.35 177.41 3iv9 s MET 749 N -2.34 0.51 -0.33 4.03 -2.45 -0.58 -0.26 119.30 117.88 3iv9 s MET 749 Ca 0.28 0.69 -0.15 0.00 -1.25 0.00 0.00 55.69 55.25 3iv9 s MET 749 Cb -0.12 0.20 -0.02 0.00 1.25 0.00 0.00 34.83 36.14 3iv9 s MET 749 CO 0.20 -0.09 0.38 0.08 1.05 0.00 0.00 175.02 176.65 3iv9 s VAL 750 N 0.53 5.15 -0.01 10.11 1.01 -0.64 -1.95 120.40 134.60 3iv9 s VAL 750 Ca -0.02 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.19 3iv9 s VAL 750 Cb -0.04 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3iv9 s VAL 750 CO -0.03 -0.07 -0.19 -0.51 0.00 0.00 0.00 175.10 174.30 3iv9 s ILE 751 N 2.07 2.65 0.20 2.22 2.07 -1.19 -1.04 121.20 128.17 3iv9 s ILE 751 Ca 0.13 -1.02 -0.22 0.00 -1.41 0.00 0.00 60.65 58.13 3iv9 s ILE 751 Cb -0.16 -2.04 0.05 0.00 0.13 0.00 0.00 42.46 40.44 3iv9 s ILE 751 CO 0.12 0.49 0.64 0.00 -1.91 0.00 0.00 174.94 174.28 3iv9 s ALA 752 N -0.77 -1.48 -0.35 1.50 0.00 -0.43 -1.30 121.76 118.93 3iv9 s ALA 752 Ca 0.12 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.14 3iv9 s ALA 752 Cb -0.10 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 3iv9 s ALA 752 CO 0.02 -0.86 0.54 0.99 0.00 0.00 0.00 175.76 176.45 3iv9 s THR 753 N -3.79 4.99 -0.12 0.00 2.01 0.21 -1.30 115.64 117.63 3iv9 s THR 753 Ca 0.04 0.42 -0.25 0.00 0.31 0.00 0.00 61.69 62.21 3iv9 s THR 753 Cb -0.03 -3.98 -0.12 0.00 0.01 0.00 0.00 72.50 68.38 3iv9 s THR 753 CO -0.07 -0.23 0.77 0.52 -0.69 0.00 0.00 174.62 174.92 3iv9 n VAL 754 N 5.45 0.00 -1.46 3.82 0.31 -0.70 -2.36 118.33 123.39 3iv9 n VAL 754 Ca -0.04 0.00 -0.57 0.00 -0.01 0.00 0.00 64.34 63.73 3iv9 n VAL 754 Cb 0.49 -0.12 -0.08 0.00 -0.91 0.00 0.00 33.84 33.21 3iv9 n VAL 754 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3iv9 n LYS 755 N 1.51 0.00 0.00 5.55 4.81 -0.48 -1.13 118.16 128.42 3iv9 n LYS 755 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3iv9 n LYS 755 Cb 0.01 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 33.81 3iv9 n LYS 755 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iv9 n GLY 756 N 3.34 2.56 3.87 3.14 0.00 -1.26 -4.84 105.19 111.99 3iv9 n GLY 756 Ca 0.26 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3iv9 n GLY 756 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iv9 s ASP 757 N 0.57 6.33 -0.01 1.61 3.68 -0.28 -4.35 116.67 124.23 3iv9 s ASP 757 Ca 0.00 1.37 0.02 0.00 2.13 0.00 0.00 52.55 56.08 3iv9 s ASP 757 Cb 0.00 -2.44 -0.04 0.00 -1.45 0.00 0.00 42.92 38.99 3iv9 s ASP 757 CO 0.00 -0.75 0.04 0.55 0.13 0.00 0.00 175.17 175.14 3iv9 n VAL 758 N -2.36 0.06 -1.61 1.11 3.14 -1.26 -0.96 118.33 116.44 3iv9 n VAL 758 Ca 0.05 -0.08 -0.45 0.00 -2.96 0.00 0.00 64.34 60.90 3iv9 n VAL 758 Cb 0.54 -0.05 -0.04 0.00 -1.06 0.00 0.00 33.84 33.24 3iv9 n VAL 758 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3iv9 n HIS 759 N -1.77 2.15 0.00 1.45 8.25 -1.26 -4.77 115.22 119.27 3iv9 n HIS 759 Ca -0.02 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3iv9 n HIS 759 Cb 0.25 -2.71 0.00 0.00 1.12 0.00 0.00 29.99 28.65 3iv9 n HIS 759 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3iv9 n ASP 760 N 9.16 2.64 -0.14 0.41 5.75 -1.26 -4.80 116.55 128.31 3iv9 n ASP 760 Ca 0.27 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 55.02 3iv9 n ASP 760 Cb 0.37 0.35 0.03 0.00 -1.03 0.00 0.00 41.12 40.84 3iv9 n ASP 760 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3iv9 h ILE 761 N 0.00 0.57 -0.16 2.12 2.04 -1.98 0.56 117.51 120.66 3iv9 h ILE 761 Ca 0.00 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3iv9 h ILE 761 Cb 0.36 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3iv9 h ILE 761 CO 0.00 0.00 0.25 1.23 0.00 0.00 0.00 178.15 179.64 3iv9 h GLY 762 N 0.02 0.00 0.93 5.37 0.00 -1.96 0.12 103.07 107.55 3iv9 h GLY 762 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.22 3iv9 h GLY 762 CO -0.45 0.00 -1.76 1.70 0.00 0.00 0.00 176.54 176.04 3iv9 h LYS 763 N 0.00 0.24 0.00 4.80 3.64 -0.45 -3.28 116.57 121.52 3iv9 h LYS 763 Ca 0.08 -0.41 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 3iv9 h LYS 763 Cb 0.58 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3iv9 h LYS 763 CO -0.00 1.08 -0.12 -0.91 -2.27 0.00 0.00 179.45 177.23 3iv9 h ASN 764 N 0.06 0.00 0.13 4.20 2.35 0.22 -0.43 115.58 122.11 3iv9 h ASN 764 Ca -0.33 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 3iv9 h ASN 764 Cb 2.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.41 3iv9 h ASN 764 CO 0.13 0.12 -0.06 0.40 -1.65 0.00 0.00 177.43 176.37 3iv9 h ILE 765 N 0.00 0.90 0.00 2.81 2.04 -1.12 -2.75 117.51 119.39 3iv9 h ILE 765 Ca -0.00 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 3iv9 h ILE 765 Cb 0.59 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3iv9 h ILE 765 CO 0.02 0.25 -0.02 0.58 0.00 0.00 0.00 178.15 178.97 3iv9 h VAL 766 N -0.88 0.83 -0.40 1.67 2.07 -1.59 -1.03 116.25 116.91 3iv9 h VAL 766 Ca -0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3iv9 h VAL 766 Cb 0.54 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3iv9 h VAL 766 CO 0.03 0.02 0.22 1.23 0.02 0.00 0.00 177.57 179.09 3iv9 h GLY 767 N 0.09 0.60 1.50 2.17 0.00 -1.00 -2.96 103.07 103.47 3iv9 h GLY 767 Ca -0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 47.33 46.77 3iv9 h GLY 767 CO 0.00 0.26 -1.34 -2.08 0.00 0.00 0.00 176.54 173.39 3iv9 h VAL 768 N 0.51 1.38 -0.88 4.60 2.07 -1.12 -3.10 116.25 119.71 3iv9 h VAL 768 Ca 0.14 -2.98 0.26 0.00 0.82 0.00 0.00 66.70 64.93 3iv9 h VAL 768 Cb 0.07 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 3iv9 h VAL 768 CO -0.02 0.86 0.66 0.58 0.02 0.00 0.00 177.57 179.67 3iv9 h VAL 769 N 0.07 0.51 0.00 2.57 2.07 -1.15 0.56 116.25 120.87 3iv9 h VAL 769 Ca -0.17 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.07 3iv9 h VAL 769 Cb 1.98 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 3iv9 h VAL 769 CO 0.19 0.00 -1.62 -0.07 0.02 0.00 0.00 177.57 176.09 3iv9 h LEU 770 N 0.00 0.01 0.00 2.57 3.38 -1.57 -3.22 115.31 116.48 3iv9 h LEU 770 Ca 0.42 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3iv9 h LEU 770 Cb 1.73 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 3iv9 h LEU 770 CO -0.00 1.01 0.00 0.00 0.09 0.00 0.00 178.44 179.54 3iv9 n GLN 771 N -3.09 0.64 0.00 1.13 6.02 0.18 -0.25 117.38 122.02 3iv9 n GLN 771 Ca -0.15 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 56.90 3iv9 n GLN 771 Cb 1.04 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 31.11 3iv9 n GLN 771 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iv9 n ASN 773 N -0.12 2.69 -0.01 0.00 3.02 0.65 -4.56 115.26 116.94 3iv9 n ASN 773 Ca 0.05 -3.02 -0.00 0.00 -0.03 0.00 0.00 54.58 51.58 3iv9 n ASN 773 Cb 0.25 -0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 38.98 3iv9 n ASN 773 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3iv9 n ASN 774 N -1.17 -4.27 -4.75 6.41 5.15 -1.11 -4.68 115.26 110.84 3iv9 n ASN 774 Ca 0.17 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.75 3iv9 n ASN 774 Cb 0.68 -1.79 -0.05 0.00 -0.53 0.00 0.00 39.78 38.09 3iv9 n ASN 774 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3iv9 s TYR 775 N -1.59 3.88 -0.12 1.20 1.51 -0.68 -2.47 117.35 119.07 3iv9 s TYR 775 Ca 0.00 1.78 -0.24 0.00 -1.01 0.00 0.00 57.07 57.60 3iv9 s TYR 775 Cb 0.00 -2.96 -0.03 0.00 -0.11 0.00 0.00 41.96 38.86 3iv9 s TYR 775 CO 0.00 0.35 0.75 -2.00 -1.11 0.00 0.00 175.55 173.54 3iv9 s GLU 776 N -0.61 4.35 -0.38 -0.62 2.12 -0.38 -3.92 118.70 119.26 3iv9 s GLU 776 Ca 0.42 0.91 0.04 0.00 0.36 0.00 0.00 54.97 56.70 3iv9 s GLU 776 Cb -0.24 -3.52 0.11 0.00 0.26 0.00 0.00 34.13 30.74 3iv9 s GLU 776 CO 0.29 -0.14 0.10 0.42 -0.54 0.00 0.00 175.26 175.39 3iv9 s ILE 777 N 1.51 2.35 -1.10 -3.70 -1.09 -1.26 -1.53 121.20 116.37 3iv9 s ILE 777 Ca 0.37 -2.58 -0.21 0.00 -2.23 0.00 0.00 60.65 56.00 3iv9 s ILE 777 Cb -0.17 -2.71 0.07 0.00 -1.58 0.00 0.00 42.46 38.07 3iv9 s ILE 777 CO 0.15 -0.65 1.49 0.54 -1.23 0.00 0.00 174.94 175.25 3iv9 s VAL 778 N 0.62 4.14 0.75 2.92 0.11 -0.82 -4.95 120.40 123.17 3iv9 s VAL 778 Ca 0.12 -1.30 -0.13 0.00 -2.93 0.00 0.00 61.98 57.74 3iv9 s VAL 778 Cb -0.21 -5.06 0.05 0.00 -1.53 0.00 0.00 36.38 29.63 3iv9 s VAL 778 CO -0.06 -1.90 1.14 -0.62 -3.33 0.00 0.00 175.10 170.33 3iv9 s ASP 779 N 4.48 4.34 0.00 3.54 -1.08 -1.26 -3.19 116.67 123.50 3iv9 s ASP 779 Ca 0.47 2.09 0.00 0.00 -0.52 0.00 0.00 52.55 54.58 3iv9 s ASP 779 Cb 0.00 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 3iv9 s ASP 779 CO -0.04 -2.15 0.00 0.18 0.52 0.00 0.00 175.17 173.68 3iv9 n LEU 780 N -3.07 0.00 0.00 -1.34 4.77 -0.42 -4.90 117.00 112.03 3iv9 n LEU 780 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3iv9 n LEU 780 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3iv9 n LEU 780 CO 0.49 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3iv9 n GLY 781 N 1.88 0.17 3.67 -0.72 0.00 -1.26 -4.93 105.19 104.00 3iv9 n GLY 781 Ca 0.00 -1.85 -0.25 0.00 0.00 0.00 0.00 46.02 43.92 3iv9 n GLY 781 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iv9 s VAL 782 N 0.00 2.45 -1.73 1.61 -7.23 -1.26 0.64 120.40 114.88 3iv9 s VAL 782 Ca 0.00 -1.88 -0.18 0.00 -1.81 0.00 0.00 61.98 58.11 3iv9 s VAL 782 Cb 0.00 -2.90 0.17 0.00 0.56 0.00 0.00 36.38 34.21 3iv9 s VAL 782 CO 0.00 -0.11 0.70 0.23 -0.31 0.00 0.00 175.10 175.61 3iv9 n MET 783 N -1.06 -2.51 -3.29 4.82 2.81 -0.13 -4.87 117.12 112.89 3iv9 n MET 783 Ca -0.03 0.31 -0.39 0.00 -1.81 0.00 0.00 57.70 55.78 3iv9 n MET 783 Cb 0.64 -4.93 -0.07 0.00 -0.71 0.00 0.00 33.22 28.15 3iv9 n MET 783 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3iv9 s VAL 784 N -3.35 5.15 0.20 2.03 0.11 -1.00 -4.12 120.40 119.42 3iv9 s VAL 784 Ca 0.70 0.91 -0.32 0.00 -2.93 0.00 0.00 61.98 60.34 3iv9 s VAL 784 Cb -0.39 -3.81 -0.12 0.00 -1.53 0.00 0.00 36.38 30.52 3iv9 s VAL 784 CO 0.95 0.24 1.71 -2.65 -3.33 0.00 0.00 175.10 172.03 3iv9 n PRO 785 N 4.37 2.73 0.13 1.54 -0.02 -1.26 -1.38 135.00 141.10 3iv9 n PRO 785 Ca -0.06 0.98 0.17 0.00 -2.02 0.00 0.00 63.50 62.57 3iv9 n PRO 785 Cb 0.51 -2.83 0.54 0.00 -0.02 0.00 0.00 33.50 31.70 3iv9 n PRO 785 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iv9 h ALA 786 N 6.72 2.10 0.08 3.55 0.00 -1.96 0.71 119.26 130.46 3iv9 h ALA 786 Ca -0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3iv9 h ALA 786 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3iv9 h ALA 786 CO 0.95 -0.91 -0.04 0.93 0.00 0.00 0.00 179.25 180.18 3iv9 h GLU 787 N 0.00 -0.11 -0.90 0.00 5.08 -2.00 -2.82 114.58 113.83 3iv9 h GLU 787 Ca 0.18 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3iv9 h GLU 787 Cb 1.61 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.83 3iv9 h GLU 787 CO -0.00 0.41 0.59 -0.22 -1.00 0.00 0.00 179.01 178.78 3iv9 h LYS 788 N -0.71 0.96 -0.07 2.33 3.64 -1.24 -1.34 116.57 120.15 3iv9 h LYS 788 Ca -0.01 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3iv9 h LYS 788 Cb 0.57 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3iv9 h LYS 788 CO 0.02 0.64 0.01 0.82 -2.27 0.00 0.00 179.45 178.67 3iv9 h ILE 789 N 0.99 0.97 -0.20 2.00 2.04 -1.47 -0.71 117.51 121.13 3iv9 h ILE 789 Ca 0.40 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 66.11 3iv9 h ILE 789 Cb 0.26 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3iv9 h ILE 789 CO -0.16 0.01 -0.45 -0.07 0.00 0.00 0.00 178.15 177.49 3iv9 h LEU 790 N 0.04 0.54 0.05 1.44 3.38 -1.21 -2.26 115.31 117.30 3iv9 h LEU 790 Ca 0.03 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3iv9 h LEU 790 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3iv9 h LEU 790 CO -0.04 0.91 -0.07 0.03 0.09 0.00 0.00 178.44 179.36 3iv9 h ARG 791 N 0.41 -0.14 -0.50 1.13 3.08 -1.03 -2.08 114.38 115.25 3iv9 h ARG 791 Ca 0.03 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.16 3iv9 h ARG 791 Cb 0.94 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.97 3iv9 h ARG 791 CO 0.08 -0.09 0.16 1.15 -1.07 0.00 0.00 179.97 180.20 3iv9 h THR 792 N -0.15 0.81 -1.00 2.04 2.02 -1.04 0.25 112.91 115.84 3iv9 h THR 792 Ca 0.01 -0.11 0.22 0.00 0.77 0.00 0.00 66.41 67.29 3iv9 h THR 792 Cb 0.15 0.45 -0.10 0.00 -1.74 0.00 0.00 68.15 66.91 3iv9 h THR 792 CO -0.03 0.06 0.62 0.00 0.37 0.00 0.00 175.52 176.54 3iv9 h ALA 793 N 1.34 1.88 0.01 6.16 0.00 -0.84 0.40 119.26 128.22 3iv9 h ALA 793 Ca 0.24 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3iv9 h ALA 793 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3iv9 h ALA 793 CO -0.26 -0.27 -0.01 0.87 0.00 0.00 0.00 179.25 179.58 3iv9 h LYS 794 N 0.61 -0.02 -0.09 0.00 1.57 -0.45 -0.05 116.57 118.15 3iv9 h LYS 794 Ca 0.58 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.39 3iv9 h LYS 794 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 3iv9 h LYS 794 CO -0.35 -0.01 0.74 0.93 -0.57 0.00 0.00 179.45 180.19 3iv9 h GLU 795 N -0.65 0.00 -0.00 3.15 5.08 -0.31 0.86 114.58 122.70 3iv9 h GLU 795 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iv9 h GLU 795 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3iv9 h GLU 795 CO 0.00 0.00 -0.04 0.28 -1.00 0.00 0.00 179.01 178.26 3iv9 n VAL 796 N -2.75 0.00 -3.81 3.13 0.31 0.11 -5.02 118.33 110.30 3iv9 n VAL 796 Ca 0.01 -0.48 -0.25 0.00 -0.01 0.00 0.00 64.34 63.61 3iv9 n VAL 796 Cb 0.79 1.06 0.01 0.00 -0.91 0.00 0.00 33.84 34.78 3iv9 n VAL 796 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3iv9 n ASN 797 N -0.10 -1.55 -4.76 4.52 5.15 0.30 -4.93 115.26 113.89 3iv9 n ASN 797 Ca 0.02 -0.95 -0.31 0.00 -0.60 0.00 0.00 54.58 52.74 3iv9 n ASN 797 Cb 0.08 -3.46 0.09 0.00 -0.53 0.00 0.00 39.78 35.96 3iv9 n ASN 797 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iv9 s ALA 798 N -3.77 2.25 -0.28 5.20 0.00 -0.14 -4.92 121.76 120.10 3iv9 s ALA 798 Ca 0.09 0.33 0.22 0.00 0.00 0.00 0.00 51.96 52.60 3iv9 s ALA 798 Cb -0.03 -3.29 -0.22 0.00 0.00 0.00 0.00 23.12 19.58 3iv9 s ALA 798 CO 0.86 -1.75 0.70 -0.25 0.00 0.00 0.00 175.76 175.32 3iv9 n ASP 799 N -3.39 0.35 -4.05 0.00 8.00 0.64 -4.97 116.55 113.14 3iv9 n ASP 799 Ca 0.09 -0.12 -0.10 0.00 0.71 0.00 0.00 54.79 55.38 3iv9 n ASP 799 Cb 0.53 1.45 -0.06 0.00 -0.02 0.00 0.00 41.12 43.02 3iv9 n ASP 799 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3iv9 s LEU 800 N -4.34 0.53 -0.06 0.64 1.02 -1.13 -4.00 118.68 111.34 3iv9 s LEU 800 Ca -0.03 -1.05 -0.02 0.00 0.02 0.00 0.00 54.13 53.05 3iv9 s LEU 800 Cb 0.14 1.41 0.04 0.00 0.02 0.00 0.00 46.19 47.80 3iv9 s LEU 800 CO 0.87 -1.06 0.10 -0.63 0.02 0.00 0.00 176.35 175.65 3iv9 s ILE 801 N -4.05 -0.16 -0.16 -0.59 1.01 -1.17 -1.62 121.20 114.46 3iv9 s ILE 801 Ca 0.27 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.30 3iv9 s ILE 801 Cb 0.01 -0.21 0.01 0.00 0.01 0.00 0.00 42.46 42.29 3iv9 s ILE 801 CO 0.10 0.16 -0.19 -0.83 0.00 0.00 0.00 174.94 174.17 3iv9 s GLY 802 N 2.09 1.40 0.06 6.18 0.00 -0.21 -1.03 107.32 115.81 3iv9 s GLY 802 Ca 0.02 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 43.66 3iv9 s GLY 802 CO -0.04 0.12 -0.07 1.08 0.00 0.00 0.00 173.10 174.19 3iv9 s LEU 803 N 1.03 3.16 -0.06 0.66 1.43 -0.37 -1.32 118.68 123.22 3iv9 s LEU 803 Ca -0.02 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3iv9 s LEU 803 Cb -0.14 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.21 3iv9 s LEU 803 CO -0.06 0.22 -0.05 -0.55 0.23 0.00 0.00 176.35 176.14 3iv9 s SER 804 N -1.90 1.25 -0.14 2.29 0.15 -0.42 0.43 113.70 115.37 3iv9 s SER 804 Ca 0.20 -0.16 -0.10 0.00 0.70 0.00 0.00 55.95 56.59 3iv9 s SER 804 Cb -0.11 -0.53 0.04 0.00 -1.71 0.00 0.00 66.02 63.71 3iv9 s SER 804 CO 0.12 -0.07 0.35 -0.83 1.20 0.00 0.00 173.24 174.01 3iv9 s GLY 805 N 1.10 -0.26 0.00 9.45 0.00 -0.84 -1.72 107.32 115.06 3iv9 s GLY 805 Ca -0.08 1.15 0.05 0.00 0.00 0.00 0.00 44.72 45.84 3iv9 s GLY 805 CO -0.01 1.16 0.34 1.04 0.00 0.00 0.00 173.10 175.64 3iv9 n LEU 806 N 3.50 0.60 -5.02 0.66 4.32 -1.26 -4.42 117.00 115.38 3iv9 n LEU 806 Ca -0.18 -0.65 -0.21 0.00 -0.02 0.00 0.00 56.01 54.94 3iv9 n LEU 806 Cb 0.56 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.44 3iv9 n LEU 806 CO 0.13 0.13 0.44 0.27 -1.22 0.00 0.00 177.39 177.14 3iv9 s ILE 807 N -1.13 2.15 0.05 -0.08 -4.36 -1.26 -4.68 121.20 111.90 3iv9 s ILE 807 Ca 0.03 -0.82 -0.19 0.00 -0.26 0.00 0.00 60.65 59.41 3iv9 s ILE 807 Cb 0.04 -2.33 -0.13 0.00 1.25 0.00 0.00 42.46 41.29 3iv9 s ILE 807 CO 0.15 0.00 1.37 0.74 0.24 0.00 0.00 174.94 177.44 3iv9 h THR 808 N -0.14 1.33 -0.17 8.37 2.02 -1.94 -3.12 112.91 119.26 3iv9 h THR 808 Ca -0.33 -1.33 0.05 0.00 0.77 0.00 0.00 66.41 65.57 3iv9 h THR 808 Cb 1.28 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 3iv9 h THR 808 CO 0.40 0.40 0.17 -0.65 0.37 0.00 0.00 175.52 176.21 3iv9 h PRO 809 N 0.10 0.00 0.09 6.66 0.11 -1.91 -3.07 132.00 133.98 3iv9 h PRO 809 Ca 0.03 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3iv9 h PRO 809 Cb 0.72 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3iv9 h PRO 809 CO 0.04 0.00 -0.10 0.77 -0.21 0.00 0.00 178.00 178.50 3iv9 h SER 810 N 0.00 -0.29 -1.74 -2.05 0.02 -1.87 -1.77 113.55 105.85 3iv9 h SER 810 Ca 0.08 0.02 0.50 0.00 -0.84 0.00 0.00 61.79 61.56 3iv9 h SER 810 Cb 0.42 0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.99 3iv9 h SER 810 CO -0.00 -0.13 1.26 0.18 -1.14 0.00 0.00 176.83 176.99 3iv9 n LEU 811 N -2.94 0.00 0.05 5.07 4.77 -1.16 0.11 117.00 122.91 3iv9 n LEU 811 Ca -0.02 0.87 -0.23 0.00 -0.03 0.00 0.00 56.01 56.60 3iv9 n LEU 811 Cb 0.09 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 40.60 3iv9 n LEU 811 CO 0.05 -0.87 -0.53 -0.78 -1.33 0.00 0.00 177.39 173.93 3iv9 h ASP 812 N 0.00 0.56 0.87 -1.43 1.82 -1.59 -3.17 116.42 113.47 3iv9 h ASP 812 Ca 0.82 -0.92 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 3iv9 h ASP 812 Cb 3.33 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 43.16 3iv9 h ASP 812 CO -0.01 1.76 0.00 1.21 -1.61 0.00 0.00 179.24 180.59 3iv9 n GLU 813 N -3.67 0.18 0.00 0.28 0.00 0.30 -2.75 120.64 114.99 3iv9 n GLU 813 Ca -0.25 0.35 -0.18 0.00 0.00 0.00 0.00 57.16 57.07 3iv9 n GLU 813 Cb 1.03 -1.81 -0.14 0.00 0.00 0.00 0.00 31.44 30.53 3iv9 n GLU 813 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 3iv9 h MET 814 N 0.00 0.19 -0.15 5.31 2.86 -0.93 -3.22 114.93 119.00 3iv9 h MET 814 Ca 0.00 -0.33 0.04 0.00 -2.06 0.00 0.00 59.70 57.35 3iv9 h MET 814 Cb 0.43 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3iv9 h MET 814 CO 0.00 1.16 0.16 0.28 1.06 0.00 0.00 176.91 179.57 3iv9 h VAL 815 N -0.58 0.51 -0.19 -2.22 2.07 -1.48 -0.80 116.25 113.56 3iv9 h VAL 815 Ca -0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3iv9 h VAL 815 Cb 1.45 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3iv9 h VAL 815 CO 0.08 0.00 0.02 -1.13 0.02 0.00 0.00 177.57 176.56 3iv9 h ASN 816 N 0.00 0.31 -0.80 0.57 -0.73 -1.53 -2.44 115.58 110.96 3iv9 h ASN 816 Ca 0.07 -0.28 -0.02 0.00 1.87 0.00 0.00 56.30 57.93 3iv9 h ASN 816 Cb 0.39 -0.08 -0.04 0.00 0.27 0.00 0.00 38.32 38.86 3iv9 h ASN 816 CO -0.00 0.52 0.41 0.58 -0.37 0.00 0.00 177.43 178.57 3iv9 h VAL 817 N 0.09 1.25 -0.96 2.57 2.07 -1.18 -1.09 116.25 118.99 3iv9 h VAL 817 Ca 0.05 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.96 3iv9 h VAL 817 Cb 0.35 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 3iv9 h VAL 817 CO 0.01 0.28 0.63 0.00 0.02 0.00 0.00 177.57 178.51 3iv9 h ALA 818 N 1.22 1.38 -0.28 1.67 0.00 -1.36 0.92 119.26 122.80 3iv9 h ALA 818 Ca 0.28 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3iv9 h ALA 818 Cb 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3iv9 h ALA 818 CO -0.04 0.53 -0.16 0.87 0.00 0.00 0.00 179.25 180.45 3iv9 h LYS 819 N 1.22 0.60 -0.80 0.00 1.57 -0.91 -2.38 116.57 115.87 3iv9 h LYS 819 Ca 0.38 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3iv9 h LYS 819 Cb 0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3iv9 h LYS 819 CO -0.12 0.85 0.33 0.93 -0.57 0.00 0.00 179.45 180.88 3iv9 h GLU 820 N 0.33 1.18 -0.31 3.15 4.39 -0.57 0.42 114.58 123.17 3iv9 h GLU 820 Ca 0.06 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 3iv9 h GLU 820 Cb 0.69 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 3iv9 h GLU 820 CO 0.05 0.95 -0.12 0.52 -1.16 0.00 0.00 179.01 179.25 3iv9 h MET 821 N 1.15 0.53 0.00 2.33 2.86 -0.83 -0.01 114.93 120.96 3iv9 h MET 821 Ca 0.27 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3iv9 h MET 821 Cb 0.20 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3iv9 h MET 821 CO -0.02 0.64 -0.12 1.49 1.06 0.00 0.00 176.91 179.95 3iv9 h GLU 822 N 0.49 0.00 -0.02 1.72 4.57 -0.84 0.14 114.58 120.64 3iv9 h GLU 822 Ca 0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3iv9 h GLU 822 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3iv9 h GLU 822 CO 0.03 0.08 -0.18 -2.13 -1.18 0.00 0.00 179.01 175.63 3iv9 n ARG 823 N -3.10 1.83 -0.00 1.92 0.63 0.14 -4.21 116.66 113.87 3iv9 n ARG 823 Ca 0.03 -1.52 0.00 0.00 -0.92 0.00 0.00 57.85 55.45 3iv9 n ARG 823 Cb 0.56 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 32.03 3iv9 n ARG 823 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3iv9 n GLN 824 N 0.77 1.25 -1.20 -0.14 6.02 -0.06 -5.02 117.38 119.00 3iv9 n GLN 824 Ca 0.12 -1.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.04 3iv9 n GLN 824 Cb 0.53 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.78 3iv9 n GLN 824 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iv9 n GLY 825 N -0.28 0.41 3.74 1.08 0.00 -1.12 -5.04 105.19 103.97 3iv9 n GLY 825 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 3iv9 n GLY 825 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iv9 s PHE 826 N -2.00 2.36 0.00 1.61 0.08 0.48 -4.97 117.98 115.54 3iv9 s PHE 826 Ca 0.00 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.57 3iv9 s PHE 826 Cb 0.00 -3.11 0.00 0.00 -0.57 0.00 0.00 43.02 39.34 3iv9 s PHE 826 CO 0.00 -2.12 0.00 2.41 -0.10 0.00 0.00 175.22 175.41 3iv9 n THR 827 N -3.74 0.00 -1.92 0.64 -1.04 -1.26 -4.83 114.28 102.13 3iv9 n THR 827 Ca 0.09 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.71 3iv9 n THR 827 Cb 0.53 0.04 0.01 0.00 -1.82 0.00 0.00 70.33 69.10 3iv9 n THR 827 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3iv9 s ILE 828 N -0.32 2.34 1.09 12.58 -4.36 -1.26 -4.57 121.20 126.70 3iv9 s ILE 828 Ca 0.00 0.29 -0.15 0.00 -0.26 0.00 0.00 60.65 60.53 3iv9 s ILE 828 Cb 0.00 -3.16 0.15 0.00 1.25 0.00 0.00 42.46 40.70 3iv9 s ILE 828 CO 0.00 0.03 0.48 -2.65 0.24 0.00 0.00 174.94 173.04 3iv9 n PRO 829 N -0.31 -1.51 -3.63 0.37 -0.02 -1.26 -4.69 135.00 123.96 3iv9 n PRO 829 Ca 0.06 -0.41 -0.29 0.00 -2.02 0.00 0.00 63.50 60.84 3iv9 n PRO 829 Cb 0.44 -1.93 -0.15 0.00 -0.02 0.00 0.00 33.50 31.84 3iv9 n PRO 829 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3iv9 s LEU 830 N -3.48 1.26 -0.21 2.45 2.96 0.41 -3.01 118.68 119.06 3iv9 s LEU 830 Ca 0.61 -1.37 -0.17 0.00 -0.22 0.00 0.00 54.13 52.98 3iv9 s LEU 830 Cb -0.19 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 3iv9 s LEU 830 CO 0.65 -0.42 0.44 -0.76 -1.32 0.00 0.00 176.35 174.95 3iv9 s LEU 831 N 1.89 4.14 -0.07 -0.68 1.02 -0.20 -1.86 118.68 122.92 3iv9 s LEU 831 Ca 0.08 0.54 -0.18 0.00 0.02 0.00 0.00 54.13 54.60 3iv9 s LEU 831 Cb -0.17 -2.57 -0.05 0.00 0.02 0.00 0.00 46.19 43.42 3iv9 s LEU 831 CO -0.29 -0.13 0.50 -0.63 0.02 0.00 0.00 176.35 175.81 3iv9 s ILE 832 N 1.53 5.08 0.14 -0.59 1.01 -0.35 -1.23 121.20 126.80 3iv9 s ILE 832 Ca 0.20 1.01 0.06 0.00 0.00 0.00 0.00 60.65 61.92 3iv9 s ILE 832 Cb -0.15 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 3iv9 s ILE 832 CO 0.09 0.40 -0.13 -0.83 0.00 0.00 0.00 174.94 174.46 3iv9 s GLY 833 N 0.10 1.12 0.00 6.18 0.00 0.17 -3.39 107.32 111.50 3iv9 s GLY 833 Ca 0.27 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.59 3iv9 s GLY 833 CO 0.13 -1.47 0.00 0.61 0.00 0.00 0.00 173.10 172.36 3iv9 n GLY 834 N 0.21 4.20 0.08 0.20 0.00 -1.26 -1.98 105.19 106.64 3iv9 n GLY 834 Ca -0.13 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 3iv9 n GLY 834 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv9 h ALA 835 N 0.00 0.04 -0.64 4.61 0.00 -1.91 -3.28 119.26 118.08 3iv9 h ALA 835 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.57 3iv9 h ALA 835 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3iv9 h ALA 835 CO 0.00 -0.04 0.38 1.79 0.00 0.00 0.00 179.25 181.38 3iv9 h THR 836 N -0.51 1.03 -2.85 0.00 1.35 -1.83 -3.41 112.91 106.69 3iv9 h THR 836 Ca -0.01 -0.25 -0.52 0.00 -0.55 0.00 0.00 66.41 65.08 3iv9 h THR 836 Cb 0.79 0.24 0.06 0.00 -1.73 0.00 0.00 68.15 67.51 3iv9 h THR 836 CO 0.02 0.13 0.94 0.42 -0.25 0.00 0.00 175.52 176.78 3iv9 s THR 837 N -6.11 2.26 0.31 6.82 -4.23 -1.24 -4.99 115.64 108.46 3iv9 s THR 837 Ca -0.13 0.19 0.10 0.00 -1.18 0.00 0.00 61.69 60.67 3iv9 s THR 837 Cb 0.15 -3.12 -0.05 0.00 1.34 0.00 0.00 72.50 70.81 3iv9 s THR 837 CO 0.76 0.02 -0.04 -0.94 -0.54 0.00 0.00 174.62 173.88 3iv9 s SER 838 N 1.03 4.14 0.00 3.99 1.04 -1.26 -4.77 113.70 117.87 3iv9 s SER 838 Ca 0.71 -0.91 0.10 0.00 0.48 0.00 0.00 55.95 56.32 3iv9 s SER 838 Cb -0.47 -0.56 0.58 0.00 0.10 0.00 0.00 66.02 65.67 3iv9 s SER 838 CO 0.35 -0.12 1.06 1.17 0.98 0.00 0.00 173.24 176.68 3iv9 n LYS 839 N -0.87 0.29 -0.07 4.02 4.81 -1.26 -2.17 118.16 122.90 3iv9 n LYS 839 Ca -0.05 0.03 -0.06 0.00 -0.87 0.00 0.00 58.31 57.36 3iv9 n LYS 839 Cb 0.61 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 34.14 3iv9 n LYS 839 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3iv9 n ALA 840 N -1.04 0.61 -0.26 3.14 0.00 -1.26 -3.35 120.51 118.35 3iv9 n ALA 840 Ca 0.07 -0.58 0.10 0.00 0.00 0.00 0.00 53.44 53.02 3iv9 n ALA 840 Cb 0.04 0.02 0.35 0.00 0.00 0.00 0.00 19.45 19.86 3iv9 n ALA 840 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iv9 h HIS 841 N -0.89 0.86 -0.43 0.00 -0.00 -1.94 0.88 115.15 113.63 3iv9 h HIS 841 Ca 0.00 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.28 3iv9 h HIS 841 Cb 0.69 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 3iv9 h HIS 841 CO -0.30 0.36 -0.16 1.15 -0.00 0.00 0.00 177.93 178.98 3iv9 h THR 842 N 0.76 1.28 0.00 6.26 2.02 -1.65 0.20 112.91 121.78 3iv9 h THR 842 Ca 0.42 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 66.30 3iv9 h THR 842 Cb 0.55 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3iv9 h THR 842 CO -0.18 0.44 -0.01 0.00 0.37 0.00 0.00 175.52 176.14 3iv9 n ALA 843 N -2.48 2.32 -0.02 6.16 0.00 -0.44 -1.56 120.51 124.48 3iv9 n ALA 843 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 3iv9 n ALA 843 Cb 0.41 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 3iv9 n ALA 843 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iv9 n VAL 844 N -1.80 0.29 0.08 0.00 0.31 0.18 -4.72 118.33 112.67 3iv9 n VAL 844 Ca 0.06 -0.15 0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3iv9 n VAL 844 Cb 0.38 -0.79 0.08 0.00 -0.91 0.00 0.00 33.84 32.59 3iv9 n VAL 844 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3iv9 n LYS 845 N -2.40 1.67 0.06 5.55 4.76 0.70 -4.78 118.16 123.72 3iv9 n LYS 845 Ca -0.08 -1.49 0.00 0.00 -2.87 0.00 0.00 58.31 53.87 3iv9 n LYS 845 Cb 0.62 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 3iv9 n LYS 845 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3iv9 n ILE 846 N 0.33 0.22 -0.34 -0.18 5.41 -1.19 -4.82 119.36 118.79 3iv9 n ILE 846 Ca 0.07 0.07 0.34 0.00 1.00 0.00 0.00 62.75 64.23 3iv9 n ILE 846 Cb 0.30 -0.87 0.70 0.00 -0.71 0.00 0.00 39.64 39.06 3iv9 n ILE 846 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3iv9 h GLU 847 N 0.00 0.08 -0.12 0.38 4.81 -1.58 0.27 114.58 118.42 3iv9 h GLU 847 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3iv9 h GLU 847 Cb 0.17 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3iv9 h GLU 847 CO 0.00 0.05 0.00 1.04 -0.73 0.00 0.00 179.01 179.37 3iv9 n GLN 848 N -4.28 1.09 -0.01 1.92 6.02 -1.26 -3.21 117.38 117.65 3iv9 n GLN 848 Ca 0.27 -0.13 0.01 0.00 -0.01 0.00 0.00 57.00 57.14 3iv9 n GLN 848 Cb 1.21 -1.07 0.02 0.00 1.02 0.00 0.00 30.24 31.42 3iv9 n GLN 848 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3iv9 n ASN 849 N -0.36 1.45 -3.57 1.08 4.13 0.94 -4.94 115.26 113.99 3iv9 n ASN 849 Ca 0.01 -1.33 -0.18 0.00 1.68 0.00 0.00 54.58 54.76 3iv9 n ASN 849 Cb 0.05 -0.01 -0.14 0.00 -1.54 0.00 0.00 39.78 38.14 3iv9 n ASN 849 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3iv9 s TYR 850 N -0.40 -0.23 -0.99 3.10 5.04 -1.20 -3.90 117.35 118.77 3iv9 s TYR 850 Ca 0.03 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 3iv9 s TYR 850 Cb 0.02 -0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.01 3iv9 s TYR 850 CO 0.03 -0.47 0.26 -1.13 -1.34 0.00 0.00 175.55 172.90 3iv9 n SER 851 N 5.32 0.52 -4.71 4.32 3.41 -1.26 -4.71 113.62 116.51 3iv9 n SER 851 Ca -0.05 -1.02 -0.30 0.00 -0.26 0.00 0.00 58.87 57.24 3iv9 n SER 851 Cb 0.50 -0.26 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 3iv9 n SER 851 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3iv9 s GLY 852 N -0.47 2.71 -0.13 5.00 0.00 -1.26 -5.07 107.32 108.09 3iv9 s GLY 852 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 44.72 43.06 3iv9 s GLY 852 CO 0.00 -2.11 2.12 -4.14 0.00 0.00 0.00 173.10 168.96 3iv9 s PRO 853 N -3.84 3.50 -0.33 2.90 0.02 -1.26 -4.89 135.00 131.10 3iv9 s PRO 853 Ca 0.23 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.50 3iv9 s PRO 853 Cb 0.05 -4.29 0.10 0.00 0.02 0.00 0.00 34.50 30.37 3iv9 s PRO 853 CO 0.12 -1.68 0.05 0.99 -0.33 0.00 0.00 177.00 176.15 3iv9 s THR 854 N 6.88 1.97 0.08 0.99 2.01 -1.26 0.16 115.64 126.47 3iv9 s THR 854 Ca 0.96 -2.08 0.08 0.00 0.31 0.00 0.00 61.69 60.96 3iv9 s THR 854 Cb -0.36 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 3iv9 s THR 854 CO 0.37 -0.56 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.88 3iv9 s VAL 855 N 1.07 2.87 0.07 3.82 1.01 -0.77 -4.84 120.40 123.62 3iv9 s VAL 855 Ca 0.09 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.75 3iv9 s VAL 855 Cb -0.19 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3iv9 s VAL 855 CO -0.11 0.20 0.02 -0.47 0.00 0.00 0.00 175.10 174.73 3iv9 s TYR 856 N -1.06 3.04 -0.01 5.22 5.04 -1.26 -1.21 117.35 127.11 3iv9 s TYR 856 Ca 0.17 0.01 0.01 0.00 -2.44 0.00 0.00 57.07 54.82 3iv9 s TYR 856 Cb -0.11 -1.58 0.01 0.00 0.35 0.00 0.00 41.96 40.63 3iv9 s TYR 856 CO 0.08 0.48 -0.03 0.08 -1.34 0.00 0.00 175.55 174.83 3iv9 s VAL 857 N -1.28 0.32 0.16 3.14 1.01 -1.22 -4.97 120.40 117.55 3iv9 s VAL 857 Ca 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 3iv9 s VAL 857 Cb -0.12 -0.31 -0.13 0.00 0.00 0.00 0.00 36.38 35.82 3iv9 s VAL 857 CO 0.18 0.12 1.39 1.56 0.00 0.00 0.00 175.10 178.35 3iv9 h GLN 858 N 6.45 0.46 -3.35 2.72 7.50 -1.92 -3.42 115.11 123.54 3iv9 h GLN 858 Ca -0.32 -0.40 -0.02 0.00 0.50 0.00 0.00 58.65 58.41 3iv9 h GLN 858 Cb 1.18 0.09 -0.06 0.00 0.05 0.00 0.00 27.48 28.74 3iv9 h GLN 858 CO 0.49 1.04 0.07 0.54 -1.50 0.00 0.00 178.83 179.46 3iv9 s ASN 859 N -7.01 -0.04 0.00 1.46 2.20 -1.26 -4.90 114.94 105.38 3iv9 s ASN 859 Ca -0.06 -0.90 0.08 0.00 -0.94 0.00 0.00 52.86 51.04 3iv9 s ASN 859 Cb 0.10 0.69 0.38 0.00 -2.00 0.00 0.00 41.25 40.42 3iv9 s ASN 859 CO 0.85 -1.32 1.13 0.00 -2.94 0.00 0.00 177.10 174.82 3iv9 n ALA 860 N -0.45 1.52 -0.07 3.54 0.00 -1.26 -2.04 120.51 121.75 3iv9 n ALA 860 Ca -0.03 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 3iv9 n ALA 860 Cb 0.60 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 3iv9 n ALA 860 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iv9 h SER 861 N 0.00 0.11 -0.23 0.00 0.87 -1.98 -3.37 113.55 108.94 3iv9 h SER 861 Ca 0.00 -0.70 -0.08 0.00 -1.23 0.00 0.00 61.79 59.79 3iv9 h SER 861 Cb 0.08 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3iv9 h SER 861 CO 0.00 1.46 -0.11 -0.09 -0.53 0.00 0.00 176.83 177.56 3iv9 h ARG 862 N -0.79 0.62 -0.59 2.24 9.65 -1.82 -3.18 114.38 120.51 3iv9 h ARG 862 Ca -0.28 -0.19 0.10 0.00 -1.10 0.00 0.00 59.98 58.51 3iv9 h ARG 862 Cb 1.39 -0.06 -0.11 0.00 -1.39 0.00 0.00 29.97 29.80 3iv9 h ARG 862 CO -0.10 0.72 -0.37 1.15 2.80 0.00 0.00 179.97 184.17 3iv9 h THR 863 N 0.57 0.14 -0.94 0.20 2.02 -1.57 0.17 112.91 113.50 3iv9 h THR 863 Ca 0.10 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.43 3iv9 h THR 863 Cb 0.52 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 66.98 3iv9 h THR 863 CO 0.03 0.00 0.55 0.58 0.37 0.00 0.00 175.52 177.05 3iv9 h VAL 864 N -0.18 0.79 -0.13 3.16 2.07 -1.71 0.11 116.25 120.37 3iv9 h VAL 864 Ca 0.22 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3iv9 h VAL 864 Cb 0.56 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3iv9 h VAL 864 CO -0.69 0.14 -0.06 1.23 0.02 0.00 0.00 177.57 178.22 3iv9 h GLY 865 N 0.79 0.29 0.86 2.17 0.00 -0.90 -2.76 103.07 103.51 3iv9 h GLY 865 Ca 0.50 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 3iv9 h GLY 865 CO -0.33 0.23 -0.37 -2.08 0.00 0.00 0.00 176.54 174.00 3iv9 h VAL 866 N -0.08 0.12 -1.01 4.60 2.07 -0.09 -2.75 116.25 119.10 3iv9 h VAL 866 Ca 0.03 -0.18 0.25 0.00 0.82 0.00 0.00 66.70 67.61 3iv9 h VAL 866 Cb 0.52 0.15 -0.12 0.00 -1.52 0.00 0.00 31.29 30.32 3iv9 h VAL 866 CO 0.02 0.01 0.61 0.58 0.02 0.00 0.00 177.57 178.81 3iv9 h VAL 867 N -1.19 0.55 0.29 2.57 2.07 -0.92 -1.24 116.25 118.38 3iv9 h VAL 867 Ca -0.11 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3iv9 h VAL 867 Cb 0.81 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3iv9 h VAL 867 CO 0.17 0.10 -0.14 0.00 0.02 0.00 0.00 177.57 177.73 3iv9 h ALA 868 N 1.70 -1.06 0.00 1.67 0.00 -1.39 -2.62 119.26 117.56 3iv9 h ALA 868 Ca 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3iv9 h ALA 868 Cb 1.26 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3iv9 h ALA 868 CO -0.43 -1.03 0.00 0.00 0.00 0.00 0.00 179.25 177.78 3iv9 n ALA 869 N -2.20 1.77 0.58 0.00 0.00 -1.04 -0.63 120.51 118.99 3iv9 n ALA 869 Ca -0.05 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.46 3iv9 n ALA 869 Cb 0.15 -1.10 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 3iv9 n ALA 869 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3iv9 n LEU 870 N -0.90 0.59 -0.01 0.00 7.94 -0.50 -2.32 117.00 121.80 3iv9 n LEU 870 Ca 0.04 -0.29 0.01 0.00 -1.11 0.00 0.00 56.01 54.67 3iv9 n LEU 870 Cb 0.02 -0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.93 3iv9 n LEU 870 CO 0.03 0.14 -0.59 0.18 -1.11 0.00 0.00 177.39 176.05 3iv9 n LEU 871 N -1.82 0.00 -4.75 -1.96 4.77 0.20 -4.81 117.00 108.63 3iv9 n LEU 871 Ca 0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 3iv9 n LEU 871 Cb 0.43 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 3iv9 n LEU 871 CO 0.44 0.03 1.25 -0.94 -1.33 0.00 0.00 177.39 176.84 3iv9 s SER 872 N -2.88 6.35 -0.01 -1.43 1.04 -0.08 -4.87 113.70 111.82 3iv9 s SER 872 Ca -0.02 2.97 0.02 0.00 0.48 0.00 0.00 55.95 59.40 3iv9 s SER 872 Cb 0.03 -2.64 0.06 0.00 0.10 0.00 0.00 66.02 63.57 3iv9 s SER 872 CO 0.20 -0.92 0.85 0.47 0.98 0.00 0.00 173.24 174.83 3iv9 n ASP 873 N 2.05 0.79 0.00 7.02 9.92 -1.26 -1.85 116.55 133.21 3iv9 n ASP 873 Ca 0.08 -2.03 0.00 0.00 -0.53 0.00 0.00 54.79 52.30 3iv9 n ASP 873 Cb 0.37 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 3iv9 n ASP 873 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3iv9 n THR 874 N -0.16 0.00 0.00 -3.53 -2.24 -1.26 -4.84 114.28 102.24 3iv9 n THR 874 Ca 0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3iv9 n THR 874 Cb 0.17 1.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 3iv9 n THR 874 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iv9 n GLN 875 N -0.08 1.27 -0.56 -0.78 6.02 -1.21 -4.81 117.38 117.24 3iv9 n GLN 875 Ca 0.00 0.00 0.44 0.00 -0.01 0.00 0.00 57.00 57.43 3iv9 n GLN 875 Cb 0.12 -0.69 0.68 0.00 1.02 0.00 0.00 30.24 31.37 3iv9 n GLN 875 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3iv9 n ARG 876 N -1.17 0.00 -0.08 -1.09 0.63 -0.77 0.02 116.66 114.20 3iv9 n ARG 876 Ca 0.00 0.97 -0.21 0.00 -0.92 0.00 0.00 57.85 57.68 3iv9 n ARG 876 Cb 0.19 -2.27 -0.12 0.00 0.45 0.00 0.00 32.46 30.71 3iv9 n ARG 876 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3iv9 h ASP 877 N 0.00 0.09 -0.87 6.15 3.45 -1.84 -3.14 116.42 120.26 3iv9 h ASP 877 Ca 0.77 -0.62 0.04 0.00 0.43 0.00 0.00 57.03 57.65 3iv9 h ASP 877 Cb 3.28 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 41.97 3iv9 h ASP 877 CO -0.01 1.53 0.57 -0.78 -1.57 0.00 0.00 179.24 178.99 3iv9 h ASP 878 N -0.79 0.92 0.00 6.45 1.82 -0.72 -2.34 116.42 121.76 3iv9 h ASP 878 Ca -0.34 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 3iv9 h ASP 878 Cb 1.43 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.23 3iv9 h ASP 878 CO -0.14 0.63 0.00 0.33 -1.61 0.00 0.00 179.24 178.45 3iv9 n PHE 879 N -4.45 0.00 -0.33 0.28 -0.00 0.80 -1.67 117.46 112.09 3iv9 n PHE 879 Ca 0.12 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.59 3iv9 n PHE 879 Cb 0.12 -0.47 0.10 0.00 -0.00 0.00 0.00 39.48 39.22 3iv9 n PHE 879 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3iv9 h VAL 880 N 0.00 0.06 -0.45 -2.13 2.07 -1.53 0.37 116.25 114.64 3iv9 h VAL 880 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3iv9 h VAL 880 Cb 0.00 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 3iv9 h VAL 880 CO 0.00 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.88 3iv9 h ALA 881 N 1.74 0.58 -0.74 1.67 0.00 -1.51 0.65 119.26 121.64 3iv9 h ALA 881 Ca 0.41 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.32 3iv9 h ALA 881 Cb 0.65 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3iv9 h ALA 881 CO -0.94 0.04 0.45 -0.09 0.00 0.00 0.00 179.25 178.71 3iv9 h ARG 882 N 0.61 0.83 0.19 0.00 9.65 0.51 -0.80 114.38 125.36 3iv9 h ARG 882 Ca 0.16 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3iv9 h ARG 882 Cb -0.05 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.35 3iv9 h ARG 882 CO -0.03 0.55 -0.09 1.15 2.80 0.00 0.00 179.97 184.34 3iv9 h THR 883 N 0.85 0.92 -0.96 0.20 2.02 -0.22 -2.19 112.91 113.53 3iv9 h THR 883 Ca 0.31 -0.75 0.11 0.00 0.77 0.00 0.00 66.41 66.86 3iv9 h THR 883 Cb 0.10 1.35 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 3iv9 h THR 883 CO -0.15 0.16 0.59 0.03 0.37 0.00 0.00 175.52 176.53 3iv9 h ARG 884 N -0.64 0.92 0.00 6.66 3.08 -0.71 0.40 114.38 124.10 3iv9 h ARG 884 Ca -0.03 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3iv9 h ARG 884 Cb 0.46 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3iv9 h ARG 884 CO 0.04 0.61 -0.31 0.87 -1.07 0.00 0.00 179.97 180.11 3iv9 h LYS 885 N 0.95 0.00 0.03 0.04 1.57 -1.14 -2.19 116.57 115.83 3iv9 h LYS 885 Ca 0.47 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3iv9 h LYS 885 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3iv9 h LYS 885 CO -0.26 0.31 -0.02 1.49 -0.57 0.00 0.00 179.45 180.40 3iv9 h GLU 886 N 0.00 -0.04 0.00 3.15 4.81 -0.05 -3.11 114.58 119.34 3iv9 h GLU 886 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3iv9 h GLU 886 Cb 0.68 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3iv9 h GLU 886 CO 0.04 0.63 0.11 0.66 -0.73 0.00 0.00 179.01 179.72 3iv9 n TYR 887 N -4.73 0.65 0.06 0.92 0.53 0.11 0.50 117.16 115.20 3iv9 n TYR 887 Ca -0.08 0.34 -0.21 0.00 -1.02 0.00 0.00 57.90 56.93 3iv9 n TYR 887 Cb 0.34 -0.97 -0.12 0.00 -1.03 0.00 0.00 39.34 37.56 3iv9 n TYR 887 CO 0.00 0.00 0.00 1.49 -1.02 0.00 0.00 176.86 177.33 3iv9 h GLU 888 N 0.00 0.59 0.01 -0.72 4.57 -1.34 -2.92 114.58 114.77 3iv9 h GLU 888 Ca 0.00 -0.72 -0.00 0.00 -1.18 0.00 0.00 59.36 57.46 3iv9 h GLU 888 Cb 0.22 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3iv9 h GLU 888 CO 0.00 1.31 -0.00 1.15 -1.18 0.00 0.00 179.01 180.28 3iv9 h THR 889 N 0.20 1.07 -0.29 0.32 2.02 0.11 -2.20 112.91 114.14 3iv9 h THR 889 Ca -0.15 -0.23 0.07 0.00 0.77 0.00 0.00 66.41 66.87 3iv9 h THR 889 Cb 1.72 1.23 -0.08 0.00 -1.74 0.00 0.00 68.15 69.28 3iv9 h THR 889 CO 0.20 0.06 -0.26 0.58 0.37 0.00 0.00 175.52 176.47 3iv9 h VAL 890 N -0.11 0.35 0.28 3.16 2.07 -1.46 0.71 116.25 121.24 3iv9 h VAL 890 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3iv9 h VAL 890 Cb 0.11 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3iv9 h VAL 890 CO 0.00 0.00 -0.31 0.03 0.02 0.00 0.00 177.57 177.31 3iv9 h ARG 891 N -0.24 -0.61 0.00 1.57 3.08 -1.40 0.89 114.38 117.67 3iv9 h ARG 891 Ca 0.15 0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 3iv9 h ARG 891 Cb 0.48 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3iv9 h ARG 891 CO -0.43 -0.40 -0.22 -0.84 -1.07 0.00 0.00 179.97 177.00 3iv9 h ILE 892 N -0.63 1.06 0.07 2.04 3.07 -1.13 0.26 117.51 122.25 3iv9 h ILE 892 Ca -0.01 -0.77 -0.00 0.00 1.55 0.00 0.00 64.86 65.62 3iv9 h ILE 892 Cb 0.59 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 3iv9 h ILE 892 CO -0.08 0.21 -0.03 -0.61 -1.05 0.00 0.00 178.15 176.59 3iv9 h GLN 893 N 0.00 -0.09 0.00 0.16 4.15 0.11 -1.83 115.11 117.60 3iv9 h GLN 893 Ca -0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3iv9 h GLN 893 Cb 0.41 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3iv9 h GLN 893 CO 0.03 0.26 0.00 0.45 -1.93 0.00 0.00 178.83 177.64 3iv9 h HIS 894 N -0.46 0.00 -0.13 3.99 3.86 -0.66 -2.66 115.15 119.09 3iv9 h HIS 894 Ca -0.01 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.06 3iv9 h HIS 894 Cb 0.40 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3iv9 h HIS 894 CO 0.05 0.00 -0.54 0.78 0.86 0.00 0.00 177.93 179.07 3iv9 h GLY 895 N 3.31 0.41 1.59 2.45 0.00 -0.31 -2.07 103.07 108.44 3iv9 h GLY 895 Ca 0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 47.33 46.62 3iv9 h GLY 895 CO 0.00 0.42 -1.06 3.21 0.00 0.00 0.00 176.54 179.11 3iv9 h ARG 896 N 0.29 0.35 -0.72 4.80 3.08 -1.16 -2.98 114.38 118.04 3iv9 h ARG 896 Ca 0.01 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3iv9 h ARG 896 Cb 1.04 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3iv9 h ARG 896 CO 0.09 1.14 0.00 1.63 -1.07 0.00 0.00 179.97 181.76 3iv9 n LYS 897 N -3.66 1.97 -3.60 0.04 5.02 -1.02 -4.56 118.16 112.34 3iv9 n LYS 897 Ca -0.07 -0.87 -0.38 0.00 -2.02 0.00 0.00 58.31 54.97 3iv9 n LYS 897 Cb 0.91 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 34.26 3iv9 n LYS 897 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3iv9 s LYS 898 N -1.55 3.19 0.17 1.97 1.02 -0.79 -2.88 119.74 120.86 3iv9 s LYS 898 Ca 0.15 -2.98 0.01 0.00 0.02 0.00 0.00 55.97 53.17 3iv9 s LYS 898 Cb 0.11 -3.99 0.01 0.00 -0.52 0.00 0.00 37.83 33.43 3iv9 s LYS 898 CO 0.06 -1.24 0.07 -0.35 -0.92 0.00 0.00 175.35 172.97 3iv9 n PRO 899 N 2.85 1.40 -0.01 -1.68 -0.04 -1.26 -4.98 135.00 131.29 3iv9 n PRO 899 Ca 0.17 -1.14 -0.01 0.00 -0.04 0.00 0.00 63.50 62.49 3iv9 n PRO 899 Cb 0.38 0.21 -0.01 0.00 -0.04 0.00 0.00 33.50 34.05 3iv9 n PRO 899 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3iv9 n ARG 900 N -0.68 2.90 -3.99 0.54 1.85 -1.14 -4.89 116.66 111.25 3iv9 n ARG 900 Ca -0.03 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.51 3iv9 n ARG 900 Cb 0.20 -1.03 -0.15 0.00 -1.05 0.00 0.00 32.46 30.44 3iv9 n ARG 900 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3iv9 s THR 901 N -2.03 2.20 0.40 8.89 -4.23 -1.26 -5.11 115.64 114.51 3iv9 s THR 901 Ca -0.01 -2.36 -0.25 0.00 -1.18 0.00 0.00 61.69 57.89 3iv9 s THR 901 Cb 0.00 -2.62 -0.11 0.00 1.34 0.00 0.00 72.50 71.11 3iv9 s THR 901 CO 0.04 -0.62 1.11 -2.65 -0.54 0.00 0.00 174.62 171.95 3iv9 n PRO 902 N 4.20 1.57 -0.68 3.99 -0.02 -1.26 -4.80 135.00 138.00 3iv9 n PRO 902 Ca 0.04 0.56 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 3iv9 n PRO 902 Cb 0.41 -2.14 0.09 0.00 -0.02 0.00 0.00 33.50 31.84 3iv9 n PRO 902 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3iv9 n PRO 903 N 0.20 -0.95 -4.14 0.52 -0.04 -1.26 -2.56 135.00 126.77 3iv9 n PRO 903 Ca 0.08 -0.81 -0.11 0.00 -0.04 0.00 0.00 63.50 62.62 3iv9 n PRO 903 Cb 0.38 -0.60 -0.09 0.00 -0.04 0.00 0.00 33.50 33.15 3iv9 n PRO 903 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3iv9 s VAL 904 N -2.08 0.03 0.34 0.52 -7.23 0.17 -4.42 120.40 107.72 3iv9 s VAL 904 Ca 0.31 -1.85 -0.25 0.00 -1.81 0.00 0.00 61.98 58.37 3iv9 s VAL 904 Cb -0.01 -2.31 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 3iv9 s VAL 904 CO 0.22 -0.12 0.95 0.42 -0.31 0.00 0.00 175.10 176.26 3iv9 s THR 905 N -4.10 4.20 -0.08 5.32 -4.23 -1.26 -4.81 115.64 110.69 3iv9 s THR 905 Ca 0.32 1.77 0.24 0.00 -1.18 0.00 0.00 61.69 62.83 3iv9 s THR 905 Cb 0.06 -3.95 0.24 0.00 1.34 0.00 0.00 72.50 70.19 3iv9 s THR 905 CO 0.09 0.09 1.73 0.25 -0.54 0.00 0.00 174.62 176.23 3iv9 h LEU 906 N 3.00 0.00 0.02 4.79 5.85 -1.94 0.08 115.31 127.11 3iv9 h LEU 906 Ca -0.47 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3iv9 h LEU 906 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3iv9 h LEU 906 CO 0.64 0.00 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.40 3iv9 h GLU 907 N 0.00 -0.03 -0.12 1.25 3.07 -2.00 -2.81 114.58 113.95 3iv9 h GLU 907 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 3iv9 h GLU 907 Cb 0.04 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3iv9 h GLU 907 CO 0.00 -0.02 0.11 0.00 -1.40 0.00 0.00 179.01 177.70 3iv9 h ALA 908 N -1.45 1.82 0.59 3.43 0.00 -1.88 -2.36 119.26 119.40 3iv9 h ALA 908 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3iv9 h ALA 908 Cb 0.02 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3iv9 h ALA 908 CO 0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 179.25 178.80 3iv9 h ALA 909 N 1.89 -0.79 -0.23 0.00 0.00 -1.10 -2.04 119.26 117.00 3iv9 h ALA 909 Ca 0.05 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3iv9 h ALA 909 Cb 0.28 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3iv9 h ALA 909 CO -0.00 -0.79 0.17 0.00 0.00 0.00 0.00 179.25 178.63 3iv9 h ARG 910 N -1.09 0.00 -0.10 0.00 3.08 -1.17 -0.47 114.38 114.63 3iv9 h ARG 910 Ca -0.08 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.77 3iv9 h ARG 910 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 3iv9 h ARG 910 CO 0.13 0.00 -0.75 0.22 -1.07 0.00 0.00 179.97 178.50 3iv9 h ASP 911 N 0.00 0.62 -1.33 7.04 1.82 -1.39 -3.13 116.42 120.05 3iv9 h ASP 911 Ca 0.11 -0.41 -0.62 0.00 -0.39 0.00 0.00 57.03 55.72 3iv9 h ASP 911 Cb 0.45 -0.18 -0.19 0.00 0.68 0.00 0.00 39.33 40.09 3iv9 h ASP 911 CO -0.00 1.17 1.00 -3.20 -1.61 0.00 0.00 179.24 176.60 3iv9 n ASN 912 N -3.86 7.06 -4.94 2.28 2.85 -0.19 -4.96 115.26 113.50 3iv9 n ASN 912 Ca -0.05 -3.33 -0.24 0.00 -0.11 0.00 0.00 54.58 50.85 3iv9 n ASN 912 Cb 0.72 -1.23 0.05 0.00 1.24 0.00 0.00 39.78 40.57 3iv9 n ASN 912 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 3iv9 s ASP 913 N -0.00 5.04 -0.77 1.20 -4.77 -1.19 -1.57 116.67 114.62 3iv9 s ASP 913 Ca 0.55 0.30 -0.25 0.00 -3.30 0.00 0.00 52.55 49.85 3iv9 s ASP 913 Cb 0.33 -1.07 -0.16 0.00 -1.09 0.00 0.00 42.92 40.93 3iv9 s ASP 913 CO -0.22 -1.39 2.47 0.33 0.70 0.00 0.00 175.17 177.07 3iv9 n PHE 914 N -2.68 0.92 -1.90 2.11 7.35 -1.26 -4.83 117.46 117.17 3iv9 n PHE 914 Ca 0.08 0.16 -0.42 0.00 -0.76 0.00 0.00 57.45 56.51 3iv9 n PHE 914 Cb 0.60 -2.28 -0.03 0.00 0.35 0.00 0.00 39.48 38.12 3iv9 n PHE 914 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3iv9 s ALA 915 N 10.06 3.80 -0.30 3.13 0.00 -1.26 -4.98 121.76 132.21 3iv9 s ALA 915 Ca 1.14 1.41 -0.15 0.00 0.00 0.00 0.00 51.96 54.36 3iv9 s ALA 915 Cb -0.60 -3.63 0.15 0.00 0.00 0.00 0.00 23.12 19.04 3iv9 s ALA 915 CO 0.35 -0.81 0.95 0.12 0.00 0.00 0.00 175.76 176.37 3iv9 s PHE 916 N 1.06 -0.71 -0.77 0.00 5.36 -1.26 -5.10 117.98 116.56 3iv9 s PHE 916 Ca 0.70 1.28 -0.26 0.00 -0.96 0.00 0.00 56.93 57.69 3iv9 s PHE 916 Cb -0.45 0.42 -0.00 0.00 -0.34 0.00 0.00 43.02 42.65 3iv9 s PHE 916 CO 0.32 -0.35 1.65 0.34 -1.46 0.00 0.00 175.22 175.72 3iv9 s ASP 917 N 2.13 5.69 0.00 6.13 3.68 -1.26 -4.82 116.67 128.22 3iv9 s ASP 917 Ca -0.05 -0.37 0.22 0.00 2.13 0.00 0.00 52.55 54.48 3iv9 s ASP 917 Cb -0.06 -2.55 1.12 0.00 -1.45 0.00 0.00 42.92 39.99 3iv9 s ASP 917 CO -0.17 -2.16 1.72 0.79 0.13 0.00 0.00 175.17 175.48 3iv9 n TRP 918 N 11.43 0.00 -0.03 -5.34 7.02 -1.26 -3.06 117.44 126.20 3iv9 n TRP 918 Ca 0.21 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.55 3iv9 n TRP 918 Cb 0.50 -0.28 -0.10 0.00 -2.42 0.00 0.00 31.31 29.01 3iv9 n TRP 918 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3iv9 h GLN 919 N 0.00 0.16 -0.19 -0.99 1.08 -1.94 -3.31 115.11 109.92 3iv9 h GLN 919 Ca 0.00 -0.13 -0.09 0.00 -1.45 0.00 0.00 58.65 56.99 3iv9 h GLN 919 Cb 0.21 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3iv9 h GLN 919 CO 0.00 0.77 -0.22 0.00 -0.95 0.00 0.00 178.83 178.42 3iv9 h ALA 920 N 0.40 0.28 -2.31 3.87 0.00 -1.97 -3.45 119.26 116.08 3iv9 h ALA 920 Ca -0.01 -0.37 -0.51 0.00 0.00 0.00 0.00 54.91 54.03 3iv9 h ALA 920 Cb 0.79 -0.06 0.14 0.00 0.00 0.00 0.00 17.79 18.66 3iv9 h ALA 920 CO 0.03 0.23 0.30 -0.47 0.00 0.00 0.00 179.25 179.34 3iv9 s TYR 921 N -4.24 2.47 -0.32 0.00 5.04 -1.17 -5.05 117.35 114.07 3iv9 s TYR 921 Ca -0.13 1.52 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 3iv9 s TYR 921 Cb 0.06 -3.08 0.15 0.00 0.35 0.00 0.00 41.96 39.44 3iv9 s TYR 921 CO 0.78 -1.96 0.34 0.99 -1.34 0.00 0.00 175.55 174.36 3iv9 s THR 922 N -2.89 -0.40 0.01 4.34 2.01 -1.26 -4.87 115.64 112.58 3iv9 s THR 922 Ca 0.62 -0.68 -0.39 0.00 0.31 0.00 0.00 61.69 61.54 3iv9 s THR 922 Cb -0.18 -0.85 -0.20 0.00 0.01 0.00 0.00 72.50 71.29 3iv9 s THR 922 CO 0.56 -0.50 1.08 -2.65 -0.69 0.00 0.00 174.62 172.43 3iv9 n PRO 923 N 4.86 0.09 -2.17 4.92 -0.02 -1.26 -4.88 135.00 136.53 3iv9 n PRO 923 Ca 0.04 0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.13 3iv9 n PRO 923 Cb 0.46 -1.53 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 3iv9 n PRO 923 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3iv9 s PRO 924 N 0.01 4.23 0.76 0.52 0.04 -1.26 -4.91 135.00 134.39 3iv9 s PRO 924 Ca 0.90 2.00 -0.13 0.00 0.04 0.00 0.00 61.00 63.81 3iv9 s PRO 924 Cb -1.24 -3.75 0.05 0.00 0.04 0.00 0.00 34.50 29.60 3iv9 s PRO 924 CO 0.56 -0.70 1.14 0.08 0.04 0.00 0.00 177.00 178.12 3iv9 s VAL 925 N 3.18 2.81 -0.27 -0.36 1.01 -1.26 -4.74 120.40 120.77 3iv9 s VAL 925 Ca 0.66 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.75 3iv9 s VAL 925 Cb -0.31 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3iv9 s VAL 925 CO 0.25 -0.28 0.67 0.00 0.00 0.00 0.00 175.10 175.74 3iv9 s ALA 926 N -2.47 3.58 0.65 5.51 0.00 -1.26 -4.76 121.76 123.01 3iv9 s ALA 926 Ca 0.67 -0.46 0.25 0.00 0.00 0.00 0.00 51.96 52.41 3iv9 s ALA 926 Cb -0.22 -3.11 1.34 0.00 0.00 0.00 0.00 23.12 21.13 3iv9 s ALA 926 CO 0.50 -0.94 1.75 1.25 0.00 0.00 0.00 175.76 178.31 3iv9 h HIS 927 N 7.98 0.00 -3.96 0.00 2.76 -0.50 -3.41 115.15 118.03 3iv9 h HIS 927 Ca -0.26 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.79 3iv9 h HIS 927 Cb 1.12 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.96 3iv9 h HIS 927 CO 0.76 0.00 -0.30 1.03 -1.30 0.00 0.00 177.93 178.12 3iv9 s ARG 928 N -4.05 1.38 -0.03 5.26 1.81 -0.60 -5.00 118.95 117.72 3iv9 s ARG 928 Ca -0.03 -1.34 -0.18 0.00 -1.72 0.00 0.00 55.73 52.47 3iv9 s ARG 928 Cb 0.07 0.40 0.03 0.00 -0.45 0.00 0.00 34.95 35.00 3iv9 s ARG 928 CO 0.22 -0.53 0.38 -0.51 -0.68 0.00 0.00 175.30 174.18 3iv9 s LEU 929 N -3.05 0.56 0.00 2.53 1.43 -1.26 -4.85 118.68 114.04 3iv9 s LEU 929 Ca 0.26 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 3iv9 s LEU 929 Cb 0.02 1.49 0.00 0.00 0.03 0.00 0.00 46.19 47.74 3iv9 s LEU 929 CO 0.08 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 176.82 3iv9 n GLY 930 N 1.33 -0.05 3.24 -3.19 0.00 0.85 -4.88 105.19 102.49 3iv9 n GLY 930 Ca -0.21 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.17 3iv9 n GLY 930 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iv9 s VAL 931 N -0.75 3.33 -0.08 1.61 1.01 -1.26 -0.95 120.40 123.31 3iv9 s VAL 931 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.94 3iv9 s VAL 931 Cb 0.00 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3iv9 s VAL 931 CO 0.00 0.01 -0.17 -1.58 0.00 0.00 0.00 175.10 173.36 3iv9 s GLN 932 N 1.36 2.88 0.40 2.72 0.74 0.42 -4.98 119.66 123.20 3iv9 s GLN 932 Ca -0.01 -0.75 -0.24 0.00 0.05 0.00 0.00 55.36 54.40 3iv9 s GLN 932 Cb -0.18 -2.42 -0.09 0.00 1.10 0.00 0.00 33.01 31.42 3iv9 s GLN 932 CO -0.01 0.39 1.05 -2.00 -0.55 0.00 0.00 175.29 174.17 3iv9 s GLU 933 N -0.13 4.16 0.01 1.67 2.12 -1.26 -1.42 118.70 123.85 3iv9 s GLU 933 Ca -0.02 1.52 -0.01 0.00 0.36 0.00 0.00 54.97 56.82 3iv9 s GLU 933 Cb -0.14 -2.55 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 3iv9 s GLU 933 CO 0.04 -0.14 0.00 0.08 -0.54 0.00 0.00 175.26 174.70 3iv9 s VAL 934 N -1.65 0.06 0.05 3.70 1.01 -0.50 -4.89 120.40 118.18 3iv9 s VAL 934 Ca 0.58 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 3iv9 s VAL 934 Cb -0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 3iv9 s VAL 934 CO 0.28 -0.26 -0.03 -0.70 0.00 0.00 0.00 175.10 174.38 3iv9 s GLU 935 N -0.78 0.61 -0.20 2.72 2.12 -1.26 -1.81 118.70 120.09 3iv9 s GLU 935 Ca -0.09 -1.20 -0.13 0.00 0.36 0.00 0.00 54.97 53.92 3iv9 s GLU 935 Cb -0.05 0.19 0.06 0.00 0.26 0.00 0.00 34.13 34.59 3iv9 s GLU 935 CO -0.00 -0.10 0.50 0.00 -0.54 0.00 0.00 175.26 175.11 3iv9 s ALA 936 N -3.81 -1.29 0.82 6.30 0.00 -1.25 -5.06 121.76 117.47 3iv9 s ALA 936 Ca 0.06 1.72 -0.13 0.00 0.00 0.00 0.00 51.96 53.61 3iv9 s ALA 936 Cb 0.07 -1.02 0.09 0.00 0.00 0.00 0.00 23.12 22.26 3iv9 s ALA 936 CO -0.09 -0.29 1.18 -1.54 0.00 0.00 0.00 175.76 175.02 3iv9 s SER 937 N 1.19 3.57 0.28 0.00 1.04 -1.26 -4.44 113.70 114.08 3iv9 s SER 937 Ca -0.07 2.28 -0.03 0.00 0.48 0.00 0.00 55.95 58.61 3iv9 s SER 937 Cb -0.06 -2.58 0.39 0.00 0.10 0.00 0.00 66.02 63.87 3iv9 s SER 937 CO -0.11 -2.68 1.96 0.40 0.98 0.00 0.00 173.24 173.79 3iv9 h ILE 938 N -1.07 1.23 -0.76 -1.02 2.04 -1.90 -2.01 117.51 114.01 3iv9 h ILE 938 Ca -0.45 -0.41 0.11 0.00 1.00 0.00 0.00 64.86 65.10 3iv9 h ILE 938 Cb 1.28 -0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 37.22 3iv9 h ILE 938 CO 0.46 0.22 0.39 -0.33 0.00 0.00 0.00 178.15 178.89 3iv9 h GLU 939 N 1.19 0.62 -0.27 2.37 4.39 -1.92 0.54 114.58 121.50 3iv9 h GLU 939 Ca 0.32 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 3iv9 h GLU 939 Cb -0.14 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.36 3iv9 h GLU 939 CO -0.07 0.41 0.03 1.15 -1.16 0.00 0.00 179.01 179.37 3iv9 h THR 940 N 0.64 1.24 -0.27 1.13 2.02 -1.73 -3.20 112.91 112.74 3iv9 h THR 940 Ca 0.39 -0.82 -0.13 0.00 0.77 0.00 0.00 66.41 66.62 3iv9 h THR 940 Cb 0.44 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3iv9 h THR 940 CO -0.29 0.26 -0.36 -0.07 0.37 0.00 0.00 175.52 175.43 3iv9 h LEU 941 N 0.27 0.64 -1.43 2.58 3.38 -0.85 -3.19 115.31 116.71 3iv9 h LEU 941 Ca 0.08 -0.27 0.35 0.00 0.09 0.00 0.00 57.88 58.13 3iv9 h LEU 941 Cb 0.36 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 40.82 3iv9 h LEU 941 CO 0.01 0.94 0.77 0.03 0.09 0.00 0.00 178.44 180.28 3iv9 h ARG 942 N 0.51 0.22 0.00 1.13 3.08 0.06 0.77 114.38 120.16 3iv9 h ARG 942 Ca 0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3iv9 h ARG 942 Cb 0.86 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3iv9 h ARG 942 CO 0.07 0.14 0.00 0.09 -1.07 0.00 0.00 179.97 179.21 3iv9 n ASN 943 N -4.62 0.00 0.00 7.04 3.02 -1.20 -3.04 115.26 116.46 3iv9 n ASN 943 Ca 0.31 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 3iv9 n ASN 943 Cb 1.16 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.33 3iv9 n ASN 943 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3iv9 n TYR 944 N -0.81 0.00 -1.68 3.10 4.02 0.27 -4.80 117.16 117.27 3iv9 n TYR 944 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.61 3iv9 n TYR 944 Cb 0.06 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.38 3iv9 n TYR 944 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3iv9 n ILE 945 N -0.96 2.20 -3.58 -0.72 5.41 -1.00 -4.74 119.36 115.96 3iv9 n ILE 945 Ca 0.00 -0.50 -0.40 0.00 1.00 0.00 0.00 62.75 62.85 3iv9 n ILE 945 Cb 0.00 -1.46 -0.07 0.00 -0.71 0.00 0.00 39.64 37.40 3iv9 n ILE 945 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3iv9 s ASP 946 N -0.44 5.86 0.04 4.38 -1.08 -1.26 -4.93 116.67 119.23 3iv9 s ASP 946 Ca 0.58 -3.01 0.07 0.00 -0.52 0.00 0.00 52.55 49.68 3iv9 s ASP 946 Cb -0.56 -1.97 0.33 0.00 -1.46 0.00 0.00 42.92 39.25 3iv9 s ASP 946 CO 0.60 -0.38 1.23 0.79 0.52 0.00 0.00 175.17 177.93 3iv9 n TRP 947 N 3.36 0.09 0.12 -5.34 7.02 -1.26 -3.50 117.44 117.93 3iv9 n TRP 947 Ca 0.13 0.04 -0.12 0.00 -1.02 0.00 0.00 57.50 56.53 3iv9 n TRP 947 Cb 0.40 -0.57 -0.07 0.00 -2.42 0.00 0.00 31.31 28.65 3iv9 n TRP 947 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3iv9 h THR 948 N 0.00 0.00 -0.09 -0.99 2.02 -1.90 -1.45 112.91 110.49 3iv9 h THR 948 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3iv9 h THR 948 Cb 0.10 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3iv9 h THR 948 CO 0.00 0.00 0.07 -0.65 0.37 0.00 0.00 175.52 175.31 3iv9 h PRO 949 N -0.58 0.00 0.08 6.66 0.11 -1.91 -1.73 132.00 134.63 3iv9 h PRO 949 Ca -0.02 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.11 3iv9 h PRO 949 Cb 0.55 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 3iv9 h PRO 949 CO -0.16 0.00 -0.23 0.35 -0.21 0.00 0.00 178.00 177.75 3iv9 h PHE 950 N 0.00 -0.62 -0.55 0.65 3.57 -1.44 0.16 116.94 118.71 3iv9 h PHE 950 Ca 0.04 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 3iv9 h PHE 950 Cb 0.19 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3iv9 h PHE 950 CO 0.00 -0.33 -0.10 0.74 -2.23 0.00 0.00 178.31 176.39 3iv9 h PHE 951 N -0.41 1.15 -0.30 0.41 0.04 -1.07 -2.31 116.94 114.44 3iv9 h PHE 951 Ca 0.04 -0.23 0.09 0.00 2.80 0.00 0.00 57.97 60.66 3iv9 h PHE 951 Cb 0.45 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3iv9 h PHE 951 CO -0.23 1.06 0.34 1.98 -0.60 0.00 0.00 178.31 180.86 3iv9 h MET 952 N 0.92 0.00 0.04 1.51 4.05 -0.51 -1.43 114.93 119.50 3iv9 h MET 952 Ca 0.14 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 3iv9 h MET 952 Cb 0.67 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 3iv9 h MET 952 CO 0.05 0.00 -0.02 1.15 0.23 0.00 0.00 176.91 178.32 3iv9 h THR 953 N 0.00 1.32 0.00 -0.77 2.02 -0.13 -3.18 112.91 112.17 3iv9 h THR 953 Ca 0.14 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.68 3iv9 h THR 953 Cb 0.83 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 3iv9 h THR 953 CO -0.00 0.39 0.00 0.79 0.37 0.00 0.00 175.52 177.07 3iv9 n TRP 954 N -4.76 0.00 -3.71 3.16 7.02 -0.66 -4.78 117.44 113.70 3iv9 n TRP 954 Ca -0.08 -0.11 -0.27 0.00 -1.02 0.00 0.00 57.50 56.02 3iv9 n TRP 954 Cb 0.33 -0.11 0.03 0.00 -2.42 0.00 0.00 31.31 29.14 3iv9 n TRP 954 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3iv9 n SER 955 N 0.35 -3.45 -4.00 -0.99 2.88 -1.11 -4.22 113.62 103.08 3iv9 n SER 955 Ca 0.00 -0.95 -0.31 0.00 -1.33 0.00 0.00 58.87 56.28 3iv9 n SER 955 Cb 0.22 -3.58 -0.15 0.00 -0.75 0.00 0.00 64.21 59.94 3iv9 n SER 955 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3iv9 s LEU 956 N -6.55 3.29 -0.08 2.46 1.43 -0.63 -4.78 118.68 113.82 3iv9 s LEU 956 Ca 0.27 -1.45 -0.29 0.00 -1.03 0.00 0.00 54.13 51.63 3iv9 s LEU 956 Cb -0.09 -1.40 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 3iv9 s LEU 956 CO 0.85 -0.25 1.94 0.00 0.23 0.00 0.00 176.35 179.12 3iv9 s ALA 957 N 1.20 3.31 0.00 4.21 0.00 -1.26 -3.96 121.76 125.26 3iv9 s ALA 957 Ca -0.04 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3iv9 s ALA 957 Cb -0.19 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.03 3iv9 s ALA 957 CO -0.07 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.17 3iv9 n GLY 958 N 4.83 2.11 2.83 0.00 0.00 -1.26 -4.95 105.19 108.75 3iv9 n GLY 958 Ca 0.22 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3iv9 n GLY 958 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iv9 s LYS 959 N -2.00 1.34 0.27 1.61 2.20 -1.26 -4.76 119.74 117.14 3iv9 s LYS 959 Ca 0.00 -1.90 -0.26 0.00 -0.36 0.00 0.00 55.97 53.45 3iv9 s LYS 959 Cb 0.00 -2.63 -0.16 0.00 -1.51 0.00 0.00 37.83 33.53 3iv9 s LYS 959 CO 0.00 -1.07 0.49 0.98 -0.36 0.00 0.00 175.35 175.39 3iv9 n TYR 960 N 3.88 -0.61 0.45 4.03 4.19 -1.26 -2.98 117.16 124.85 3iv9 n TYR 960 Ca 0.05 0.84 0.12 0.00 3.31 0.00 0.00 57.90 62.21 3iv9 n TYR 960 Cb 0.37 -1.96 0.08 0.00 0.49 0.00 0.00 39.34 38.32 3iv9 n TYR 960 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3iv9 n PRO 961 N 1.00 0.37 0.28 2.98 -0.04 -1.26 -4.84 135.00 133.49 3iv9 n PRO 961 Ca 0.15 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 3iv9 n PRO 961 Cb 0.30 -1.69 0.62 0.00 -0.04 0.00 0.00 33.50 32.69 3iv9 n PRO 961 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iv9 h ARG 962 N 0.00 0.00 0.00 0.54 3.08 -1.98 0.40 114.38 116.42 3iv9 h ARG 962 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iv9 h ARG 962 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3iv9 h ARG 962 CO 0.00 0.00 0.00 0.97 -1.07 0.00 0.00 179.97 179.87 3iv9 h ILE 963 N 0.00 0.00 0.00 2.04 2.10 -1.88 -2.20 117.51 117.57 3iv9 h ILE 963 Ca 0.05 -0.46 -0.07 0.00 1.08 0.00 0.00 64.86 65.45 3iv9 h ILE 963 Cb 1.11 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 38.28 3iv9 h ILE 963 CO -0.00 0.00 -0.36 -0.07 -1.08 0.00 0.00 178.15 176.64 3iv9 h LEU 964 N 0.00 0.00 0.00 2.19 3.38 -0.47 -3.31 115.31 117.10 3iv9 h LEU 964 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3iv9 h LEU 964 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3iv9 h LEU 964 CO 0.00 0.36 -0.51 -0.33 0.09 0.00 0.00 178.44 178.05 3iv9 h GLU 965 N 0.00 0.00 0.00 1.13 5.08 -1.54 -3.40 114.58 115.84 3iv9 h GLU 965 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iv9 h GLU 965 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3iv9 h GLU 965 CO 0.05 0.45 0.00 -3.47 -1.00 0.00 0.00 179.01 175.04 3iv9 n ASP 966 N -4.60 0.00 0.00 1.42 -0.08 -1.01 -4.47 116.55 107.81 3iv9 n ASP 966 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 3iv9 n ASP 966 Cb 0.36 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.82 3iv9 n ASP 966 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3iv9 n GLU 967 N 0.00 0.00 0.00 -0.67 1.02 -1.26 -1.17 120.64 118.56 3iv9 n GLU 967 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3iv9 n GLU 967 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 3iv9 n GLU 967 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3iv9 n VAL 968 N -0.67 0.00 0.91 2.62 0.31 -1.26 -4.84 118.33 115.40 3iv9 n VAL 968 Ca 0.00 0.18 0.10 0.00 -0.01 0.00 0.00 64.34 64.62 3iv9 n VAL 968 Cb 0.00 -1.11 0.01 0.00 -0.91 0.00 0.00 33.84 31.83 3iv9 n VAL 968 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3iv9 n VAL 969 N -1.95 0.00 -0.22 2.52 0.24 -1.24 -4.63 118.33 113.05 3iv9 n VAL 969 Ca 0.00 -0.32 0.19 0.00 -2.04 0.00 0.00 64.34 62.17 3iv9 n VAL 969 Cb 0.00 1.28 0.35 0.00 -1.47 0.00 0.00 33.84 34.00 3iv9 n VAL 969 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iv9 n GLY 970 N 1.32 -0.59 0.09 7.63 0.00 -0.31 0.99 105.19 114.32 3iv9 n GLY 970 Ca 0.09 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 3iv9 n GLY 970 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iv9 h VAL 971 N 0.00 1.31 -0.11 1.61 2.07 -1.80 -2.64 116.25 116.69 3iv9 h VAL 971 Ca 0.53 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3iv9 h VAL 971 Cb 1.36 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3iv9 h VAL 971 CO -0.54 0.28 0.01 -0.33 0.02 0.00 0.00 177.57 177.02 3iv9 h GLU 972 N -0.20 0.18 -0.72 1.57 4.39 0.30 -2.32 114.58 117.79 3iv9 h GLU 972 Ca 0.02 -0.05 0.21 0.00 0.34 0.00 0.00 59.36 59.88 3iv9 h GLU 972 Cb 0.46 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3iv9 h GLU 972 CO 0.01 0.39 0.55 0.00 -1.16 0.00 0.00 179.01 178.81 3iv9 h ALA 973 N 0.78 2.62 0.20 3.43 0.00 -0.72 -0.19 119.26 125.38 3iv9 h ALA 973 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iv9 h ALA 973 Cb 0.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3iv9 h ALA 973 CO 0.00 -0.92 -0.10 1.96 0.00 0.00 0.00 179.25 180.19 3iv9 h GLN 974 N 0.00 -0.26 -0.67 0.00 4.20 -1.04 -1.74 115.11 115.60 3iv9 h GLN 974 Ca 0.34 0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.22 3iv9 h GLN 974 Cb 1.45 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.25 3iv9 h GLN 974 CO -0.00 -0.18 0.46 0.00 -0.67 0.00 0.00 178.83 178.44 3iv9 h ARG 975 N -0.71 0.24 0.08 1.46 3.08 -1.07 1.18 114.38 118.64 3iv9 h ARG 975 Ca -0.03 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3iv9 h ARG 975 Cb 0.21 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3iv9 h ARG 975 CO 0.05 0.16 -0.04 1.25 -1.07 0.00 0.00 179.97 180.32 3iv9 h LEU 976 N 0.24 -0.09 -2.02 3.04 5.85 -1.14 0.10 115.31 121.30 3iv9 h LEU 976 Ca 0.32 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3iv9 h LEU 976 Cb 0.92 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3iv9 h LEU 976 CO -0.07 0.29 0.06 0.15 -0.34 0.00 0.00 178.44 178.52 3iv9 h PHE 977 N -0.47 0.00 0.52 1.25 3.57 0.22 0.19 116.94 122.22 3iv9 h PHE 977 Ca -0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3iv9 h PHE 977 Cb 0.41 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.15 3iv9 h PHE 977 CO 0.05 0.00 -0.25 -0.22 -2.23 0.00 0.00 178.31 175.66 3iv9 h LYS 978 N 0.00 -0.67 -0.86 1.11 1.63 0.17 -2.34 116.57 115.61 3iv9 h LYS 978 Ca 0.04 0.05 0.08 0.00 -0.85 0.00 0.00 60.65 59.96 3iv9 h LYS 978 Cb 0.15 0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 31.86 3iv9 h LYS 978 CO -0.00 -0.40 0.52 -0.44 -3.45 0.00 0.00 179.45 175.69 3iv9 h ASP 979 N -1.12 0.79 0.33 4.20 3.32 -0.25 0.26 116.42 123.96 3iv9 h ASP 979 Ca -0.07 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3iv9 h ASP 979 Cb 0.59 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3iv9 h ASP 979 CO 0.12 0.48 -0.47 0.00 -1.72 0.00 0.00 179.24 177.66 3iv9 h ALA 980 N 1.43 -0.97 -0.49 3.45 0.00 -0.66 0.30 119.26 122.33 3iv9 h ALA 980 Ca 0.39 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3iv9 h ALA 980 Cb 0.26 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3iv9 h ALA 980 CO -0.21 -1.09 0.30 -0.91 0.00 0.00 0.00 179.25 177.34 3iv9 h ASN 981 N -0.85 0.58 -0.68 0.00 2.35 -0.98 -1.04 115.58 114.97 3iv9 h ASN 981 Ca -0.03 -0.05 0.16 0.00 -0.55 0.00 0.00 56.30 55.84 3iv9 h ASN 981 Cb 0.78 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.97 3iv9 h ASN 981 CO -0.14 0.46 0.47 0.44 -1.65 0.00 0.00 177.43 177.01 3iv9 h ASP 982 N 0.65 0.18 0.09 5.81 3.32 -0.15 0.24 116.42 126.56 3iv9 h ASP 982 Ca 0.17 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3iv9 h ASP 982 Cb -0.02 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3iv9 h ASP 982 CO -0.03 0.09 -0.04 -0.03 -1.72 0.00 0.00 179.24 177.51 3iv9 h MET 983 N 0.20 -0.11 -0.99 3.56 4.05 -0.01 -3.01 114.93 118.60 3iv9 h MET 983 Ca 0.33 0.01 0.28 0.00 -0.28 0.00 0.00 59.70 60.04 3iv9 h MET 983 Cb 1.02 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.80 3iv9 h MET 983 CO -0.06 0.41 0.70 -0.07 0.23 0.00 0.00 176.91 178.12 3iv9 h LEU 984 N -0.87 0.08 0.39 3.39 3.38 0.01 0.11 115.31 121.80 3iv9 h LEU 984 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3iv9 h LEU 984 Cb 0.58 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3iv9 h LEU 984 CO 0.02 0.02 -0.19 0.44 0.09 0.00 0.00 178.44 178.82 3iv9 h ASP 985 N 0.08 -0.45 -0.36 -0.43 3.32 -0.54 0.10 116.42 118.15 3iv9 h ASP 985 Ca 0.49 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 3iv9 h ASP 985 Cb 1.80 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 41.44 3iv9 h ASP 985 CO -0.05 -0.15 0.19 0.11 -1.72 0.00 0.00 179.24 177.62 3iv9 h LYS 986 N -0.76 0.54 -0.15 3.56 1.57 -0.90 -1.02 116.57 119.41 3iv9 h LYS 986 Ca -0.05 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.47 3iv9 h LYS 986 Cb 0.52 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.73 3iv9 h LYS 986 CO 0.09 0.42 -0.71 -0.07 -0.57 0.00 0.00 179.45 178.60 3iv9 h LEU 987 N 0.54 0.88 -0.97 2.94 3.38 -1.11 0.21 115.31 121.18 3iv9 h LEU 987 Ca 0.14 -0.63 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 3iv9 h LEU 987 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3iv9 h LEU 987 CO -0.02 1.37 -0.32 -1.28 0.09 0.00 0.00 178.44 178.28 3iv9 h SER 988 N 0.46 0.36 0.00 -0.43 0.87 -0.38 0.32 113.55 114.75 3iv9 h SER 988 Ca -0.05 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.37 3iv9 h SER 988 Cb 1.34 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3iv9 h SER 988 CO 0.15 0.66 -0.06 0.00 -0.53 0.00 0.00 176.83 177.05 3iv9 h ALA 989 N 1.36 0.01 0.00 6.23 0.00 -1.21 -3.32 119.26 122.33 3iv9 h ALA 989 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3iv9 h ALA 989 Cb 0.72 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3iv9 h ALA 989 CO 0.05 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.73 3iv9 n GLU 990 N -4.62 0.64 -1.18 0.00 1.02 0.06 -4.87 120.64 111.69 3iv9 n GLU 990 Ca -0.10 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 56.98 3iv9 n GLU 990 Cb 0.45 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 3iv9 n GLU 990 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3iv9 n LYS 991 N -1.14 -1.23 0.00 3.49 4.76 0.11 -4.71 118.16 119.44 3iv9 n LYS 991 Ca 0.17 0.46 0.03 0.00 -2.87 0.00 0.00 58.31 56.10 3iv9 n LYS 991 Cb 0.15 -4.56 0.13 0.00 -1.84 0.00 0.00 35.03 28.92 3iv9 n LYS 991 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3iv9 n THR 992 N -1.49 0.84 -3.70 -0.18 -2.24 -1.19 -4.35 114.28 101.97 3iv9 n THR 992 Ca -0.08 0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.80 3iv9 n THR 992 Cb 0.26 -1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 67.24 3iv9 n THR 992 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3iv9 s LEU 993 N -2.51 0.10 -0.25 3.22 2.96 -1.26 -4.80 118.68 116.14 3iv9 s LEU 993 Ca 0.05 0.64 -0.02 0.00 -0.22 0.00 0.00 54.13 54.58 3iv9 s LEU 993 Cb 0.03 0.89 0.08 0.00 0.50 0.00 0.00 46.19 47.69 3iv9 s LEU 993 CO 0.08 -0.19 0.06 0.20 -1.32 0.00 0.00 176.35 175.17 3iv9 s ASN 994 N 1.60 3.48 0.23 3.68 0.01 -1.26 -4.82 114.94 117.86 3iv9 s ASN 994 Ca -0.07 -1.21 -0.32 0.00 -0.71 0.00 0.00 52.86 50.56 3iv9 s ASN 994 Cb -0.10 -0.74 -0.12 0.00 0.41 0.00 0.00 41.25 40.69 3iv9 s ASN 994 CO -0.10 -0.35 1.70 -2.65 -1.51 0.00 0.00 177.10 174.19 3iv9 n PRO 995 N 4.95 2.77 -4.35 -0.60 -0.02 -1.24 -3.93 135.00 132.58 3iv9 n PRO 995 Ca -0.06 1.00 -0.19 0.00 -2.02 0.00 0.00 63.50 62.23 3iv9 n PRO 995 Cb 0.44 -2.83 -0.10 0.00 -0.02 0.00 0.00 33.50 30.99 3iv9 n PRO 995 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3iv9 s ARG 996 N 0.77 1.34 0.09 -0.52 3.52 -0.61 -3.92 118.95 119.62 3iv9 s ARG 996 Ca 0.72 -1.61 -0.25 0.00 -0.13 0.00 0.00 55.73 54.46 3iv9 s ARG 996 Cb -0.50 -1.08 0.09 0.00 -1.56 0.00 0.00 34.95 31.89 3iv9 s ARG 996 CO 0.36 0.15 1.16 0.20 -0.81 0.00 0.00 175.30 176.36 3iv9 s GLY 997 N -3.32 0.01 -0.15 8.12 0.00 -0.75 0.02 107.32 111.25 3iv9 s GLY 997 Ca 0.23 -0.18 -0.14 0.00 0.00 0.00 0.00 44.72 44.63 3iv9 s GLY 997 CO 0.07 4.13 0.40 0.54 0.00 0.00 0.00 173.10 178.24 3iv9 s VAL 998 N -2.06 -0.00 0.11 1.40 0.11 -0.59 -1.41 120.40 117.96 3iv9 s VAL 998 Ca 0.26 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.38 3iv9 s VAL 998 Cb -0.02 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 3iv9 s VAL 998 CO 0.03 0.00 -0.18 0.54 -3.33 0.00 0.00 175.10 172.16 3iv9 s VAL 999 N 0.22 1.53 -0.05 2.04 0.11 -0.51 -1.97 120.40 121.78 3iv9 s VAL 999 Ca -0.00 -1.60 -0.18 0.00 -2.93 0.00 0.00 61.98 57.27 3iv9 s VAL 999 Cb -0.03 -1.51 0.03 0.00 -1.53 0.00 0.00 36.38 33.35 3iv9 s VAL 999 CO 0.00 -0.22 0.40 -0.83 -3.33 0.00 0.00 175.10 171.13 3iv9 s GLY 1000N -2.13 -0.26 -0.05 6.54 0.00 -0.11 -0.43 107.32 110.87 3iv9 s GLY 1000Ca 0.07 0.66 0.01 0.00 0.00 0.00 0.00 44.72 45.46 3iv9 s GLY 1000CO 0.04 0.43 -0.06 1.08 0.00 0.00 0.00 173.10 174.60 3iv9 s LEU 1001N -1.03 1.33 0.13 0.66 1.43 -0.12 -0.69 118.68 120.39 3iv9 s LEU 1001Ca -0.11 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3iv9 s LEU 1001Cb -0.04 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 3iv9 s LEU 1001CO 0.05 -0.05 -0.07 -0.36 0.23 0.00 0.00 176.35 176.15 3iv9 s PHE 1002N 0.97 1.06 0.28 0.29 0.08 -0.27 -0.10 117.98 120.29 3iv9 s PHE 1002Ca -0.10 -0.88 -0.28 0.00 0.12 0.00 0.00 56.93 55.78 3iv9 s PHE 1002Cb -0.14 -0.58 -0.09 0.00 -0.57 0.00 0.00 43.02 41.63 3iv9 s PHE 1002CO 0.00 -0.09 0.98 -2.14 -0.10 0.00 0.00 175.22 173.87 3iv9 s PRO 1003N -3.82 4.68 0.20 0.24 0.02 -1.26 -1.72 135.00 133.34 3iv9 s PRO 1003Ca 0.15 1.51 -0.16 0.00 0.02 0.00 0.00 61.00 62.52 3iv9 s PRO 1003Cb 0.05 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.52 3iv9 s PRO 1003CO -0.02 0.34 0.49 0.00 -0.33 0.00 0.00 177.00 177.48 3iv9 s ALA 1004N -1.34 -0.69 -0.05 -1.55 0.00 -0.91 -1.31 121.76 115.91 3iv9 s ALA 1004Ca 0.46 -0.43 -0.20 0.00 0.00 0.00 0.00 51.96 51.79 3iv9 s ALA 1004Cb -0.25 0.88 0.04 0.00 0.00 0.00 0.00 23.12 23.80 3iv9 s ALA 1004CO 0.31 -0.80 0.45 -0.80 0.00 0.00 0.00 175.76 174.92 3iv9 s ASN 1005N -2.91 -0.38 0.41 0.00 -0.87 -0.36 -3.76 114.94 107.07 3iv9 s ASN 1005Ca 0.12 0.42 -0.22 0.00 -1.57 0.00 0.00 52.86 51.62 3iv9 s ASN 1005Cb -0.00 0.49 -0.11 0.00 -0.02 0.00 0.00 41.25 41.61 3iv9 s ASN 1005CO -0.00 -0.45 0.94 -0.60 -2.57 0.00 0.00 177.10 174.43 3iv9 s ARG 1006N -1.02 4.28 -0.36 -0.60 3.52 -0.79 -0.14 118.95 123.84 3iv9 s ARG 1006Ca -0.11 1.14 0.04 0.00 -0.13 0.00 0.00 55.73 56.68 3iv9 s ARG 1006Cb -0.03 -2.27 0.16 0.00 -1.56 0.00 0.00 34.95 31.25 3iv9 s ARG 1006CO 0.05 0.02 0.46 0.14 -0.81 0.00 0.00 175.30 175.16 3iv9 s VAL 1007N -2.10 -0.59 0.00 7.11 -7.23 -0.51 -1.63 120.40 115.46 3iv9 s VAL 1007Ca 0.60 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 3iv9 s VAL 1007Cb -0.10 -0.59 0.00 0.00 0.56 0.00 0.00 36.38 36.25 3iv9 s VAL 1007CO 0.15 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 3iv9 n GLY 1008N 4.59 2.04 0.54 2.32 0.00 -1.26 -2.37 105.19 111.05 3iv9 n GLY 1008Ca 0.08 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 3iv9 n GLY 1008CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iv9 n ASP 1009N 4.22 0.00 -4.33 1.61 8.00 -1.26 -4.93 116.55 119.86 3iv9 n ASP 1009Ca 0.00 -1.54 -0.18 0.00 0.71 0.00 0.00 54.79 53.79 3iv9 n ASP 1009Cb 0.00 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 3iv9 n ASP 1009CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3iv9 s ASP 1010N -0.56 2.33 -0.45 -2.24 1.01 -1.00 -2.18 116.67 113.58 3iv9 s ASP 1010Ca 0.01 -1.06 -0.00 0.00 0.71 0.00 0.00 52.55 52.21 3iv9 s ASP 1010Cb 0.01 -0.09 0.12 0.00 1.01 0.00 0.00 42.92 43.97 3iv9 s ASP 1010CO -0.00 -0.27 0.22 -0.63 0.21 0.00 0.00 175.17 174.70 3iv9 s ILE 1011N -3.11 3.03 0.25 0.77 -1.09 0.12 -1.42 121.20 119.75 3iv9 s ILE 1011Ca 0.22 -2.46 -0.30 0.00 -2.23 0.00 0.00 60.65 55.88 3iv9 s ILE 1011Cb 0.01 -3.09 -0.11 0.00 -1.58 0.00 0.00 42.46 37.69 3iv9 s ILE 1011CO 0.06 -0.72 1.52 -1.61 -1.23 0.00 0.00 174.94 172.97 3iv9 s GLU 1012N 0.67 4.21 -0.23 2.79 2.02 0.80 -2.00 118.70 126.95 3iv9 s GLU 1012Ca 0.12 2.41 0.02 0.00 0.02 0.00 0.00 54.97 57.54 3iv9 s GLU 1012Cb -0.22 -3.09 0.05 0.00 0.10 0.00 0.00 34.13 30.97 3iv9 s GLU 1012CO -0.04 -0.54 -0.13 0.42 0.02 0.00 0.00 175.26 174.99 3iv9 s ILE 1013N 0.26 2.04 0.39 -1.63 1.01 -0.67 -1.22 121.20 121.38 3iv9 s ILE 1013Ca 0.63 -1.38 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 3iv9 s ILE 1013Cb -0.44 -2.09 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 3iv9 s ILE 1013CO 0.42 0.12 0.73 -0.31 0.00 0.00 0.00 174.94 175.90 3iv9 s TYR 1014N 1.20 3.48 -0.51 3.97 2.02 -0.43 0.31 117.35 127.40 3iv9 s TYR 1014Ca -0.05 0.95 0.25 0.00 -0.37 0.00 0.00 57.07 57.84 3iv9 s TYR 1014Cb -0.18 -2.37 0.96 0.00 -0.40 0.00 0.00 41.96 39.97 3iv9 s TYR 1014CO -0.07 -0.08 1.74 -0.09 -1.57 0.00 0.00 175.55 175.48 3iv9 h ARG 1015N 1.20 0.00 -1.31 -0.62 1.12 -1.44 -3.37 114.38 109.96 3iv9 h ARG 1015Ca -0.47 0.00 0.35 0.00 -1.11 0.00 0.00 59.98 58.74 3iv9 h ARG 1015Cb 1.19 0.00 -0.13 0.00 -0.01 0.00 0.00 29.97 31.02 3iv9 h ARG 1015CO 0.64 0.00 0.88 0.16 -3.11 0.00 0.00 179.97 178.54 3iv9 s ASP 1016N -4.40 -0.04 0.65 -3.80 1.47 -1.26 -5.00 116.67 104.29 3iv9 s ASP 1016Ca 0.05 -0.09 0.14 0.00 1.18 0.00 0.00 52.55 53.83 3iv9 s ASP 1016Cb 0.10 0.11 0.68 0.00 -0.34 0.00 0.00 42.92 43.47 3iv9 s ASP 1016CO 0.45 -0.21 1.36 -0.33 0.68 0.00 0.00 175.17 177.12 3iv9 h GLU 1017N 2.00 0.00 -0.39 2.11 4.39 -1.97 -1.08 114.58 119.64 3iv9 h GLU 1017Ca -0.31 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.49 3iv9 h GLU 1017Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3iv9 h GLU 1017CO 0.29 0.00 0.27 1.79 -1.16 0.00 0.00 179.01 180.20 3iv9 h THR 1018N 0.00 0.85 -1.69 1.13 1.35 -1.98 -3.45 112.91 109.12 3iv9 h THR 1018Ca 0.09 -0.03 -0.27 0.00 -0.55 0.00 0.00 66.41 65.65 3iv9 h THR 1018Cb 1.72 0.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.86 3iv9 h THR 1018CO -0.00 0.02 -0.33 0.54 -0.25 0.00 0.00 175.52 175.50 3iv9 n ARG 1019N -4.44 -1.05 0.00 4.72 5.12 -0.41 -4.95 116.66 115.64 3iv9 n ARG 1019Ca 0.06 0.72 0.00 0.00 -1.93 0.00 0.00 57.85 56.70 3iv9 n ARG 1019Cb 0.41 -4.94 0.00 0.00 -1.16 0.00 0.00 32.46 26.77 3iv9 n ARG 1019CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3iv9 n THR 1020N -3.75 0.00 -2.76 0.55 -2.24 -1.26 -4.98 114.28 99.85 3iv9 n THR 1020Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3iv9 n THR 1020Cb 0.59 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 3iv9 n THR 1020CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3iv9 s HIS 1021N 0.00 3.60 0.13 4.78 5.65 -1.26 -4.99 115.29 123.20 3iv9 s HIS 1021Ca 0.00 1.60 -0.24 0.00 0.25 0.00 0.00 55.06 56.66 3iv9 s HIS 1021Cb 0.00 -3.09 -0.07 0.00 -1.18 0.00 0.00 32.58 28.24 3iv9 s HIS 1021CO 0.00 -0.06 0.74 0.08 -0.65 0.00 0.00 174.74 174.85 3iv9 s VAL 1022N 1.28 4.50 -1.76 0.89 1.01 -1.26 -1.12 120.40 123.94 3iv9 s VAL 1022Ca 0.49 1.61 0.21 0.00 0.00 0.00 0.00 61.98 64.28 3iv9 s VAL 1022Cb -0.20 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3iv9 s VAL 1022CO 0.24 0.50 1.00 2.30 0.00 0.00 0.00 175.10 179.13 3iv9 n ILE 1023N 1.86 0.00 0.00 2.22 -5.35 0.15 -4.80 119.36 113.44 3iv9 n ILE 1023Ca -0.06 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 3iv9 n ILE 1023Cb 0.49 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.60 3iv9 n ILE 1023CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3iv9 n ASN 1024N -0.22 0.00 -3.68 7.28 2.85 -1.18 -4.95 115.26 115.36 3iv9 n ASN 1024Ca 0.08 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.30 3iv9 n ASN 1024Cb 0.42 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.27 3iv9 n ASN 1024CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3iv9 s VAL 1025N -2.00 0.14 -0.16 3.44 1.01 -1.26 -1.67 120.40 119.89 3iv9 s VAL 1025Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 3iv9 s VAL 1025Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3iv9 s VAL 1025CO 0.00 -0.07 1.27 -0.55 0.00 0.00 0.00 175.10 175.76 3iv9 s SER 1026N 2.05 6.94 -0.03 3.32 0.15 -0.85 -4.86 113.70 120.42 3iv9 s SER 1026Ca 0.02 1.71 -0.12 0.00 0.70 0.00 0.00 55.95 58.27 3iv9 s SER 1026Cb -0.15 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.57 3iv9 s SER 1026CO -0.07 -0.76 0.31 -1.00 1.20 0.00 0.00 173.24 172.92 3iv9 s HIS 1027N 3.49 3.67 -0.02 3.44 3.76 -1.26 0.12 115.29 128.50 3iv9 s HIS 1027Ca 0.55 0.82 -0.03 0.00 -0.15 0.00 0.00 55.06 56.25 3iv9 s HIS 1027Cb -0.22 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.32 3iv9 s HIS 1027CO 0.15 0.67 0.07 -1.01 -0.85 0.00 0.00 174.74 173.77 3iv9 s HIS 1028N -1.09 -0.03 0.93 1.40 3.76 -0.93 -4.98 115.29 114.35 3iv9 s HIS 1028Ca 0.22 0.09 -0.14 0.00 -0.15 0.00 0.00 55.06 55.08 3iv9 s HIS 1028Cb -0.15 -0.00 0.21 0.00 1.11 0.00 0.00 32.58 33.75 3iv9 s HIS 1028CO 0.11 -0.08 1.27 1.28 -0.85 0.00 0.00 174.74 176.47 3iv9 n LEU 1029N 2.73 0.00 -3.72 0.89 4.77 -1.26 -4.63 117.00 115.77 3iv9 n LEU 1029Ca -0.15 -1.56 -0.14 0.00 -0.03 0.00 0.00 56.01 54.14 3iv9 n LEU 1029Cb 0.59 -0.95 -0.14 0.00 -2.33 0.00 0.00 43.42 40.58 3iv9 n LEU 1029CO 0.23 -1.37 -0.19 -0.60 -1.33 0.00 0.00 177.39 174.13 3iv9 s ARG 1030N -5.76 0.12 0.12 3.23 3.52 -1.26 -4.51 118.95 114.40 3iv9 s ARG 1030Ca 0.73 0.48 -0.33 0.00 -0.13 0.00 0.00 55.73 56.48 3iv9 s ARG 1030Cb -0.02 -0.16 -0.18 0.00 -1.56 0.00 0.00 34.95 33.02 3iv9 s ARG 1030CO 0.51 -0.20 0.79 1.04 -0.81 0.00 0.00 175.30 176.64 3iv9 n GLN 1031N 4.48 0.09 -0.79 5.12 6.02 -1.12 -4.88 117.38 126.30 3iv9 n GLN 1031Ca -0.21 0.03 0.05 0.00 -0.01 0.00 0.00 57.00 56.86 3iv9 n GLN 1031Cb 0.52 -1.27 0.18 0.00 1.02 0.00 0.00 30.24 30.68 3iv9 n GLN 1031CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3iv9 n GLN 1032N 1.25 1.43 -3.90 -1.09 7.27 -1.25 -4.77 117.38 116.32 3iv9 n GLN 1032Ca 0.19 -3.15 -0.21 0.00 0.07 0.00 0.00 57.00 53.89 3iv9 n GLN 1032Cb 0.18 -1.41 -0.04 0.00 2.41 0.00 0.00 30.24 31.38 3iv9 n GLN 1032CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 3iv9 s THR 1033N -2.82 3.78 0.09 1.69 -4.23 -1.26 0.42 115.64 113.30 3iv9 s THR 1033Ca 0.38 -1.38 -0.31 0.00 -1.18 0.00 0.00 61.69 59.20 3iv9 s THR 1033Cb 0.37 -3.24 -0.09 0.00 1.34 0.00 0.00 72.50 70.88 3iv9 s THR 1033CO -0.08 -0.22 1.70 -0.70 -0.54 0.00 0.00 174.62 174.78 3iv9 s GLU 1034N -3.95 4.18 -0.08 3.99 2.12 -1.06 -4.66 118.70 119.25 3iv9 s GLU 1034Ca 0.39 2.41 -0.03 0.00 0.36 0.00 0.00 54.97 58.09 3iv9 s GLU 1034Cb -0.06 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 3iv9 s GLU 1034CO 0.26 -0.76 0.07 0.15 -0.54 0.00 0.00 175.26 174.43 3iv9 s LYS 1035N 2.63 3.15 -0.32 4.30 -0.14 -1.26 -5.04 119.74 123.06 3iv9 s LYS 1035Ca 0.76 -0.34 0.01 0.00 -1.36 0.00 0.00 55.97 55.04 3iv9 s LYS 1035Cb -0.42 -2.94 0.10 0.00 -1.68 0.00 0.00 37.83 32.90 3iv9 s LYS 1035CO 0.33 0.71 0.08 0.99 -0.76 0.00 0.00 175.35 176.71 3iv9 s THR 1036N -1.01 1.26 0.00 2.17 2.01 -1.26 -4.74 115.64 114.07 3iv9 s THR 1036Ca 0.16 -1.65 0.00 0.00 0.31 0.00 0.00 61.69 60.51 3iv9 s THR 1036Cb -0.12 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.45 3iv9 s THR 1036CO 0.06 -0.65 0.00 0.61 -0.69 0.00 0.00 174.62 173.95 3iv9 n GLY 1037N 4.68 3.24 3.57 4.40 0.00 -1.26 -5.01 105.19 114.82 3iv9 n GLY 1037Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3iv9 n GLY 1037CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iv9 s PHE 1038N -2.16 2.47 0.07 1.61 0.40 -1.26 -5.14 117.98 113.97 3iv9 s PHE 1038Ca 0.00 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 3iv9 s PHE 1038Cb 0.00 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 3iv9 s PHE 1038CO 0.00 0.58 0.19 0.00 0.70 0.00 0.00 175.22 176.69 3iv9 s ALA 1039N -2.51 3.93 -1.09 5.36 0.00 -1.26 -4.74 121.76 121.45 3iv9 s ALA 1039Ca 0.33 -0.88 -0.23 0.00 0.00 0.00 0.00 51.96 51.17 3iv9 s ALA 1039Cb -0.02 -1.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.27 3iv9 s ALA 1039CO 0.18 0.81 1.95 -0.80 0.00 0.00 0.00 175.76 177.89 3iv9 s ASN 1040N -2.51 5.02 0.32 0.00 -0.87 -0.61 -4.84 114.94 111.46 3iv9 s ASN 1040Ca 0.34 -1.33 -0.28 0.00 -1.57 0.00 0.00 52.86 50.02 3iv9 s ASN 1040Cb -0.13 -2.58 -0.13 0.00 -0.02 0.00 0.00 41.25 38.39 3iv9 s ASN 1040CO 0.27 -3.02 1.12 -1.22 -2.57 0.00 0.00 177.10 171.69 3iv9 n TYR 1041N 14.40 1.67 -3.69 2.20 4.01 -1.26 -4.42 117.16 130.06 3iv9 n TYR 1041Ca 0.43 0.63 -0.12 0.00 -0.16 0.00 0.00 57.90 58.68 3iv9 n TYR 1041Cb 0.47 -2.32 -0.13 0.00 -0.31 0.00 0.00 39.34 37.05 3iv9 n TYR 1041CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iv9 n LEU 1043N 4.76 0.12 0.09 0.00 4.77 -1.26 0.93 117.00 126.40 3iv9 n LEU 1043Ca -0.16 0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 56.09 3iv9 n LEU 1043Cb 0.52 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 3iv9 n LEU 1043CO 0.08 -0.39 0.23 0.00 -1.33 0.00 0.00 177.39 175.98 3iv9 h ALA 1044N 0.96 0.50 -0.70 -1.18 0.00 -1.89 -3.29 119.26 113.65 3iv9 h ALA 1044Ca 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 54.91 54.20 3iv9 h ALA 1044Cb 0.63 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3iv9 h ALA 1044CO 0.00 0.99 0.41 -0.44 0.00 0.00 0.00 179.25 180.22 3iv9 h ASP 1045N 0.06 0.64 0.00 0.00 3.32 0.19 -2.39 116.42 118.23 3iv9 h ASP 1045Ca -0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3iv9 h ASP 1045Cb 1.56 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.00 3iv9 h ASP 1045CO 0.13 0.42 0.00 0.49 -1.72 0.00 0.00 179.24 178.56 3iv9 n PHE 1046N -4.73 0.00 -5.20 4.55 3.72 -1.24 -4.61 117.46 109.95 3iv9 n PHE 1046Ca 0.09 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.18 3iv9 n PHE 1046Cb 0.15 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.53 3iv9 n PHE 1046CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3iv9 s VAL 1047N -2.00 2.05 -0.15 -4.37 1.01 -0.90 -4.46 120.40 111.59 3iv9 s VAL 1047Ca 0.01 -1.17 -0.34 0.00 0.00 0.00 0.00 61.98 60.48 3iv9 s VAL 1047Cb 0.00 -1.72 -0.11 0.00 0.00 0.00 0.00 36.38 34.56 3iv9 s VAL 1047CO 0.01 0.52 1.97 0.00 0.00 0.00 0.00 175.10 177.60 3iv9 n ALA 1048N 2.29 0.99 -1.68 5.51 0.00 -1.26 -4.24 120.51 122.12 3iv9 n ALA 1048Ca -0.16 0.17 -0.45 0.00 0.00 0.00 0.00 53.44 53.00 3iv9 n ALA 1048Cb 0.51 -2.55 -0.04 0.00 0.00 0.00 0.00 19.45 17.37 3iv9 n ALA 1048CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3iv9 n PRO 1049N 7.12 2.25 -0.37 0.00 -0.02 -1.26 -1.88 135.00 140.84 3iv9 n PRO 1049Ca 0.26 0.81 0.36 0.00 -2.02 0.00 0.00 63.50 62.92 3iv9 n PRO 1049Cb 0.30 -2.60 0.74 0.00 -0.02 0.00 0.00 33.50 31.92 3iv9 n PRO 1049CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3iv9 h LYS 1050N 6.22 0.03 -1.93 -0.52 3.64 -1.58 -1.31 116.57 121.13 3iv9 h LYS 1050Ca -0.45 -0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.59 3iv9 h LYS 1050Cb 1.25 -0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.93 3iv9 h LYS 1050CO 0.90 0.02 0.13 1.28 -2.27 0.00 0.00 179.45 179.51 3iv9 n LEU 1051N -4.20 6.02 0.00 5.20 4.77 -1.26 -3.33 117.00 124.19 3iv9 n LEU 1051Ca 0.28 -3.56 0.00 0.00 -0.03 0.00 0.00 56.01 52.70 3iv9 n LEU 1051Cb 1.30 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3iv9 n LEU 1051CO 0.39 1.59 0.00 -1.54 -1.33 0.00 0.00 177.39 176.51 3iv9 n SER 1052N 1.33 0.00 0.00 -1.43 3.41 -0.49 -5.02 113.62 111.42 3iv9 n SER 1052Ca 0.41 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3iv9 n SER 1052Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 3iv9 n SER 1052CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iv9 n GLY 1053N 0.00 1.48 3.51 5.00 0.00 -1.21 -4.89 105.19 109.08 3iv9 n GLY 1053Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3iv9 n GLY 1053CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iv9 n LYS 1054N -0.11 0.64 -1.86 1.61 4.76 -1.26 -4.80 118.16 117.13 3iv9 n LYS 1054Ca 0.00 0.04 -0.25 0.00 -2.87 0.00 0.00 58.31 55.23 3iv9 n LYS 1054Cb 0.00 -2.54 -0.05 0.00 -1.84 0.00 0.00 35.03 30.60 3iv9 n LYS 1054CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3iv9 s ALA 1055N 10.23 1.44 0.67 7.82 0.00 -1.26 -4.72 121.76 135.94 3iv9 s ALA 1055Ca 1.15 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 3iv9 s ALA 1055Cb -0.70 -4.51 0.09 0.00 0.00 0.00 0.00 23.12 17.99 3iv9 s ALA 1055CO 0.39 -4.99 0.94 0.34 0.00 0.00 0.00 175.76 172.44 3iv9 s ASP 1056N 9.24 4.70 0.08 0.00 -1.08 -1.25 -4.79 116.67 123.58 3iv9 s ASP 1056Ca 0.79 -0.07 -0.04 0.00 -0.52 0.00 0.00 52.55 52.71 3iv9 s ASP 1056Cb -0.10 -0.52 -0.03 0.00 -1.46 0.00 0.00 42.92 40.81 3iv9 s ASP 1056CO 0.07 -1.60 0.06 -0.31 0.52 0.00 0.00 175.17 173.91 3iv9 s TYR 1057N -3.06 0.47 0.00 -5.34 1.51 -1.26 -2.13 117.35 107.54 3iv9 s TYR 1057Ca 0.62 -0.95 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 3iv9 s TYR 1057Cb -0.08 -0.29 -0.00 0.00 -0.11 0.00 0.00 41.96 41.48 3iv9 s TYR 1057CO 0.43 -0.47 0.12 -1.50 -1.11 0.00 0.00 175.55 173.01 3iv9 s ILE 1058N -3.93 0.08 0.24 2.71 2.07 -0.70 -4.75 121.20 116.92 3iv9 s ILE 1058Ca 0.10 -0.69 0.03 0.00 -1.41 0.00 0.00 60.65 58.68 3iv9 s ILE 1058Cb 0.07 -0.41 -0.05 0.00 0.13 0.00 0.00 42.46 42.20 3iv9 s ILE 1058CO -0.08 -0.38 0.02 -0.83 -1.91 0.00 0.00 174.94 171.77 3iv9 s GLY 1059N -1.34 1.60 0.14 1.50 0.00 -1.12 -1.12 107.32 106.98 3iv9 s GLY 1059Ca -0.14 -1.79 -0.08 0.00 0.00 0.00 0.00 44.72 42.71 3iv9 s GLY 1059CO 0.01 -1.65 0.23 0.00 0.00 0.00 0.00 173.10 171.69 3iv9 s ALA 1060N -3.50 0.06 0.22 3.20 0.00 0.14 -0.74 121.76 121.14 3iv9 s ALA 1060Ca 0.30 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 3iv9 s ALA 1060Cb 0.06 0.75 0.05 0.00 0.00 0.00 0.00 23.12 23.98 3iv9 s ALA 1060CO 0.10 -0.59 0.67 -0.59 0.00 0.00 0.00 175.76 175.36 3iv9 s PHE 1061N -3.95 -0.35 -0.29 0.00 -0.71 -0.63 -0.94 117.98 111.12 3iv9 s PHE 1061Ca 0.15 0.01 -0.05 0.00 -1.04 0.00 0.00 56.93 56.00 3iv9 s PHE 1061Cb 0.04 0.64 0.16 0.00 -1.21 0.00 0.00 43.02 42.65 3iv9 s PHE 1061CO -0.03 -1.04 0.58 0.00 -1.34 0.00 0.00 175.22 173.39 3iv9 s ALA 1062N -3.81 -1.99 0.22 1.99 0.00 -0.83 -1.88 121.76 115.45 3iv9 s ALA 1062Ca 0.06 1.92 0.08 0.00 0.00 0.00 0.00 51.96 54.02 3iv9 s ALA 1062Cb -0.04 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 3iv9 s ALA 1062CO -0.02 -1.13 -0.14 0.14 0.00 0.00 0.00 175.76 174.60 3iv9 s VAL 1063N 2.83 1.78 0.01 0.00 -7.23 0.13 -1.54 120.40 116.38 3iv9 s VAL 1063Ca 0.09 -2.22 -0.04 0.00 -1.81 0.00 0.00 61.98 58.00 3iv9 s VAL 1063Cb -0.14 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 3iv9 s VAL 1063CO -0.19 -0.55 0.06 0.28 -0.31 0.00 0.00 175.10 174.38 3iv9 s THR 1064N -2.94 0.10 -2.00 5.32 -1.32 0.10 -0.65 115.64 114.25 3iv9 s THR 1064Ca 0.24 -0.82 0.08 0.00 -1.21 0.00 0.00 61.69 59.98 3iv9 s THR 1064Cb -0.01 -0.37 0.22 0.00 -1.51 0.00 0.00 72.50 70.83 3iv9 s THR 1064CO 0.08 -0.45 1.09 0.61 -2.21 0.00 0.00 174.62 173.75 3iv9 n GLY 1065N 1.49 -0.76 0.00 6.08 0.00 -0.84 -1.57 105.19 109.59 3iv9 n GLY 1065Ca -0.23 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3iv9 n GLY 1065CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iv9 n GLY 1066N 0.34 3.77 0.16 -0.02 0.00 -1.25 -3.62 105.19 104.57 3iv9 n GLY 1066Ca 0.06 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.61 3iv9 n GLY 1066CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iv9 h LEU 1067N 0.00 0.00 0.00 0.99 3.38 -1.91 -3.28 115.31 114.50 3iv9 h LEU 1067Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iv9 h LEU 1067Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3iv9 h LEU 1067CO 0.00 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 3iv9 n GLU 1068N -2.75 0.55 0.08 1.13 4.71 -1.26 -4.00 120.64 119.11 3iv9 n GLU 1068Ca 0.04 0.02 -0.15 0.00 -0.01 0.00 0.00 57.16 57.06 3iv9 n GLU 1068Cb 0.50 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.34 3iv9 n GLU 1068CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3iv9 h GLU 1069N 0.00 -0.64 -0.11 3.49 4.81 -1.91 -1.27 114.58 118.95 3iv9 h GLU 1069Ca 0.00 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3iv9 h GLU 1069Cb 0.04 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3iv9 h GLU 1069CO 0.00 -0.43 -0.52 -0.44 -0.73 0.00 0.00 179.01 176.90 3iv9 h ASP 1070N -0.66 -1.63 -0.24 1.04 3.45 -1.90 0.32 116.42 116.79 3iv9 h ASP 1070Ca 0.00 0.20 0.06 0.00 0.43 0.00 0.00 57.03 57.72 3iv9 h ASP 1070Cb 0.68 0.64 -0.07 0.00 -0.56 0.00 0.00 39.33 40.02 3iv9 h ASP 1070CO -0.29 -0.48 -0.24 0.00 -1.57 0.00 0.00 179.24 176.65 3iv9 h ALA 1071N -0.23 -0.13 -0.63 3.45 0.00 -1.80 -0.90 119.26 119.02 3iv9 h ALA 1071Ca 0.04 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3iv9 h ALA 1071Cb 0.68 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 3iv9 h ALA 1071CO -0.42 -0.67 0.31 -0.07 0.00 0.00 0.00 179.25 178.40 3iv9 h LEU 1072N -0.25 0.40 -0.21 0.00 3.38 -0.84 0.14 115.31 117.93 3iv9 h LEU 1072Ca 0.14 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3iv9 h LEU 1072Cb 0.46 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3iv9 h LEU 1072CO -0.39 0.25 0.10 0.00 0.09 0.00 0.00 178.44 178.50 3iv9 h ALA 1073N 1.38 0.25 -0.41 1.53 0.00 -0.22 -2.03 119.26 119.76 3iv9 h ALA 1073Ca 0.30 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3iv9 h ALA 1073Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3iv9 h ALA 1073CO -0.24 -0.31 0.08 -0.44 0.00 0.00 0.00 179.25 178.35 3iv9 h ASP 1074N 0.22 0.56 0.15 0.00 3.32 -0.59 -1.24 116.42 118.85 3iv9 h ASP 1074Ca 0.08 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3iv9 h ASP 1074Cb 0.02 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3iv9 h ASP 1074CO -0.06 0.58 -0.48 0.00 -1.72 0.00 0.00 179.24 177.56 3iv9 h ALA 1075N 1.50 -0.98 0.00 3.45 0.00 -0.02 0.86 119.26 124.07 3iv9 h ALA 1075Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3iv9 h ALA 1075Cb 0.25 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3iv9 h ALA 1075CO -0.00 -1.09 -0.20 0.74 0.00 0.00 0.00 179.25 178.70 3iv9 h PHE 1076N -0.72 0.00 -0.64 0.00 0.04 -1.39 -2.41 116.94 111.83 3iv9 h PHE 1076Ca -0.01 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.81 3iv9 h PHE 1076Cb 0.71 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.81 3iv9 h PHE 1076CO -0.42 0.20 0.36 1.49 -0.60 0.00 0.00 178.31 179.35 3iv9 h GLU 1077N 0.00 0.67 0.56 1.51 4.57 0.12 -0.71 114.58 121.29 3iv9 h GLU 1077Ca -0.00 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3iv9 h GLU 1077Cb 0.37 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3iv9 h GLU 1077CO 0.03 0.44 -0.27 0.00 -1.18 0.00 0.00 179.01 178.03 3iv9 h ALA 1078N 1.32 -0.75 0.00 2.92 0.00 -0.38 -2.20 119.26 120.17 3iv9 h ALA 1078Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iv9 h ALA 1078Cb 0.13 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iv9 h ALA 1078CO -0.16 -0.88 0.00 1.04 0.00 0.00 0.00 179.25 179.25 3iv9 n GLN 1079N -5.38 0.40 -3.58 0.00 6.02 -1.09 -4.82 117.38 108.93 3iv9 n GLN 1079Ca -0.12 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.69 3iv9 n GLN 1079Cb 0.32 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.49 3iv9 n GLN 1079CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3iv9 n HIS 1080N -0.14 -2.32 -3.47 1.08 8.25 -0.83 -4.98 115.22 112.82 3iv9 n HIS 1080Ca 0.00 0.93 -0.29 0.00 -0.26 0.00 0.00 57.72 58.10 3iv9 n HIS 1080Cb 0.05 -3.14 -0.12 0.00 1.12 0.00 0.00 29.99 27.89 3iv9 n HIS 1080CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3iv9 s ASP 1081N -2.98 3.02 0.41 0.41 2.15 -0.32 -4.68 116.67 114.68 3iv9 s ASP 1081Ca 0.00 -2.07 0.29 0.00 0.43 0.00 0.00 52.55 51.20 3iv9 s ASP 1081Cb -0.00 -0.38 1.16 0.00 -0.30 0.00 0.00 42.92 43.40 3iv9 s ASP 1081CO 0.86 -0.33 1.85 0.44 -0.17 0.00 0.00 175.17 177.82 3iv9 h ASP 1082N 7.19 0.00 0.09 -0.34 3.32 -1.87 -2.87 116.42 121.94 3iv9 h ASP 1082Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3iv9 h ASP 1082Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3iv9 h ASP 1082CO 0.28 0.00 -0.05 0.22 -1.72 0.00 0.00 179.24 177.98 3iv9 h TYR 1083N 0.00 -0.12 0.00 4.55 3.20 -1.94 -1.40 116.97 121.26 3iv9 h TYR 1083Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3iv9 h TYR 1083Cb 0.46 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3iv9 h TYR 1083CO 0.00 -0.07 -0.17 -0.91 -1.64 0.00 0.00 178.16 175.37 3iv9 h ASN 1084N -0.15 0.00 0.11 -2.11 2.35 -1.98 0.31 115.58 114.12 3iv9 h ASN 1084Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3iv9 h ASN 1084Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3iv9 h ASN 1084CO 0.02 0.17 -0.05 0.50 -1.65 0.00 0.00 177.43 176.41 3iv9 h LYS 1085N 0.00 -0.15 0.00 0.81 3.64 -1.52 0.33 116.57 119.68 3iv9 h LYS 1085Ca -0.00 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 3iv9 h LYS 1085Cb 0.36 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3iv9 h LYS 1085CO 0.02 0.04 -0.28 0.82 -2.27 0.00 0.00 179.45 177.78 3iv9 h ILE 1086N -0.30 0.62 0.33 2.00 2.04 -0.88 -2.66 117.51 118.66 3iv9 h ILE 1086Ca -0.02 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 3iv9 h ILE 1086Cb 0.25 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3iv9 h ILE 1086CO 0.03 0.27 -0.16 -0.03 0.00 0.00 0.00 178.15 178.26 3iv9 h MET 1087N 0.00 -0.42 -0.80 2.37 4.05 0.11 -1.81 114.93 118.43 3iv9 h MET 1087Ca -0.00 0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.45 3iv9 h MET 1087Cb 0.88 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.74 3iv9 h MET 1087CO 0.04 -0.09 0.52 -0.24 0.23 0.00 0.00 176.91 177.36 3iv9 h VAL 1088N -0.87 1.21 -0.57 -5.77 3.04 -0.37 0.27 116.25 113.18 3iv9 h VAL 1088Ca -0.04 -0.38 -0.03 0.00 -1.01 0.00 0.00 66.70 65.23 3iv9 h VAL 1088Cb 0.52 0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.82 3iv9 h VAL 1088CO 0.07 0.20 0.24 0.11 -1.01 0.00 0.00 177.57 177.19 3iv9 h LYS 1089N 1.08 0.85 -0.47 4.17 1.57 -1.50 0.84 116.57 123.11 3iv9 h LYS 1089Ca 0.29 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3iv9 h LYS 1089Cb -0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 3iv9 h LYS 1089CO -0.06 0.72 0.09 0.00 -0.57 0.00 0.00 179.45 179.63 3iv9 h ALA 1090N 1.09 0.62 -0.40 3.86 0.00 -0.53 -2.37 119.26 121.54 3iv9 h ALA 1090Ca 0.19 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3iv9 h ALA 1090Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3iv9 h ALA 1090CO -0.02 0.34 0.02 -0.07 0.00 0.00 0.00 179.25 179.52 3iv9 h LEU 1091N 0.65 0.67 -0.88 0.00 3.38 -0.76 -1.41 115.31 116.96 3iv9 h LEU 1091Ca 0.14 -0.30 0.14 0.00 0.09 0.00 0.00 57.88 57.95 3iv9 h LEU 1091Cb 0.37 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 3iv9 h LEU 1091CO 0.01 0.80 0.49 0.00 0.09 0.00 0.00 178.44 179.83 3iv9 h ALA 1092N 0.89 1.33 -0.48 1.53 0.00 -0.72 0.66 119.26 122.47 3iv9 h ALA 1092Ca 0.11 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3iv9 h ALA 1092Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3iv9 h ALA 1092CO 0.02 -0.00 0.16 -0.44 0.00 0.00 0.00 179.25 178.99 3iv9 h ASP 1093N 0.73 0.70 0.78 0.00 3.45 -1.05 0.18 116.42 121.20 3iv9 h ASP 1093Ca 0.47 -0.20 -0.04 0.00 0.43 0.00 0.00 57.03 57.69 3iv9 h ASP 1093Cb 0.59 -0.18 0.01 0.00 -0.56 0.00 0.00 39.33 39.19 3iv9 h ASP 1093CO -0.33 0.71 -0.37 0.03 -1.57 0.00 0.00 179.24 177.71 3iv9 h ARG 1094N 0.65 -1.01 -0.72 3.56 2.47 0.40 -0.24 114.38 119.50 3iv9 h ARG 1094Ca 0.16 0.07 0.16 0.00 -1.26 0.00 0.00 59.98 59.10 3iv9 h ARG 1094Cb 0.26 0.23 -0.04 0.00 -1.65 0.00 0.00 29.97 28.76 3iv9 h ARG 1094CO -0.01 -0.66 0.49 -0.07 0.56 0.00 0.00 179.97 180.28 3iv9 h LEU 1095N -1.21 0.29 0.72 3.04 3.38 0.15 0.42 115.31 122.11 3iv9 h LEU 1095Ca -0.11 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3iv9 h LEU 1095Cb 0.82 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.53 3iv9 h LEU 1095CO 0.18 0.15 -0.35 0.00 0.09 0.00 0.00 178.44 178.51 3iv9 h ALA 1096N 1.66 -0.97 0.00 1.53 0.00 -0.63 -1.25 119.26 119.60 3iv9 h ALA 1096Ca 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3iv9 h ALA 1096Cb 0.93 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3iv9 h ALA 1096CO -0.09 -0.95 -0.09 1.49 0.00 0.00 0.00 179.25 179.60 3iv9 h GLU 1097N -1.15 0.00 -0.45 0.00 4.57 -0.24 -2.21 114.58 115.10 3iv9 h GLU 1097Ca -0.10 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.95 3iv9 h GLU 1097Cb 0.77 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 3iv9 h GLU 1097CO 0.16 0.09 -0.21 0.00 -1.18 0.00 0.00 179.01 177.87 3iv9 h ALA 1098N 1.91 0.63 0.00 2.92 0.00 0.02 -2.50 119.26 122.24 3iv9 h ALA 1098Ca -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 3iv9 h ALA 1098Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iv9 h ALA 1098CO 0.01 0.61 -0.28 0.35 0.00 0.00 0.00 179.25 179.94 3iv9 h PHE 1099N 0.78 0.00 -0.64 0.00 3.04 -0.61 -0.76 116.94 118.76 3iv9 h PHE 1099Ca 0.10 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.96 3iv9 h PHE 1099Cb 0.79 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 3iv9 h PHE 1099CO 0.06 0.28 0.06 0.00 -2.02 0.00 0.00 178.31 176.69 3iv9 h ALA 1100N 1.72 0.85 0.10 2.41 0.00 -1.18 0.65 119.26 123.81 3iv9 h ALA 1100Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3iv9 h ALA 1100Cb 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3iv9 h ALA 1100CO 0.04 0.65 -0.05 0.93 0.00 0.00 0.00 179.25 180.82 3iv9 h GLU 1101N 0.99 -0.13 -0.68 0.00 4.39 -1.21 -1.91 114.58 116.03 3iv9 h GLU 1101Ca 0.19 0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.04 3iv9 h GLU 1101Cb 0.49 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.07 3iv9 h GLU 1101CO 0.02 0.35 0.16 -0.92 -1.16 0.00 0.00 179.01 177.46 3iv9 h TYR 1102N -0.91 0.24 0.32 4.33 3.20 -1.18 0.21 116.97 123.19 3iv9 h TYR 1102Ca -0.01 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3iv9 h TYR 1102Cb 0.54 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3iv9 h TYR 1102CO 0.11 -0.06 -0.15 1.25 -1.64 0.00 0.00 178.16 177.67 3iv9 h LEU 1103N 0.27 -0.36 -1.44 2.82 5.85 -0.95 -2.36 115.31 119.13 3iv9 h LEU 1103Ca 0.37 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.13 3iv9 h LEU 1103Cb 0.61 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 3iv9 h LEU 1103CO -0.47 -0.10 0.53 -0.74 -0.34 0.00 0.00 178.44 177.32 3iv9 h HIS 1104N -0.62 0.64 0.79 1.25 2.76 -0.63 -0.51 115.15 118.83 3iv9 h HIS 1104Ca -0.04 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 3iv9 h HIS 1104Cb 0.45 -0.20 0.01 0.00 1.55 0.00 0.00 27.41 29.21 3iv9 h HIS 1104CO -0.01 0.25 -0.38 1.49 -1.30 0.00 0.00 177.93 177.99 3iv9 h GLU 1105N 0.56 -1.02 -0.23 5.26 4.81 -0.38 0.63 114.58 124.20 3iv9 h GLU 1105Ca 0.39 0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.76 3iv9 h GLU 1105Cb 0.74 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3iv9 h GLU 1105CO -0.15 -0.68 0.40 0.00 -0.73 0.00 0.00 179.01 177.85 3iv9 h ARG 1106N -1.08 0.00 0.04 1.92 3.08 -0.86 0.16 114.38 117.63 3iv9 h ARG 1106Ca -0.11 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 3iv9 h ARG 1106Cb 0.81 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.87 3iv9 h ARG 1106CO 0.18 0.00 -0.48 0.28 -1.07 0.00 0.00 179.97 178.88 3iv9 h VAL 1107N 0.00 1.53 0.00 2.04 2.07 -0.44 0.21 116.25 121.66 3iv9 h VAL 1107Ca 0.11 -2.19 -0.05 0.00 0.82 0.00 0.00 66.70 65.39 3iv9 h VAL 1107Cb 0.91 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 3iv9 h VAL 1107CO -0.00 0.61 -0.26 0.03 0.02 0.00 0.00 177.57 177.97 3iv9 h ARG 1108N -0.40 0.00 0.00 1.57 3.08 0.15 0.53 114.38 119.31 3iv9 h ARG 1108Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3iv9 h ARG 1108Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3iv9 h ARG 1108CO 0.09 0.26 0.00 1.63 -1.07 0.00 0.00 179.97 180.88 3iv9 n LYS 1109N -4.11 0.00 0.00 0.04 5.02 -0.05 -1.00 118.16 118.06 3iv9 n LYS 1109Ca -0.02 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3iv9 n LYS 1109Cb 0.32 -0.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 3iv9 n LYS 1109CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3iv9 n VAL 1110N -2.15 0.00 -0.02 -0.18 0.31 0.70 -3.02 118.33 113.97 3iv9 n VAL 1110Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3iv9 n VAL 1110Cb 0.00 -0.04 -0.01 0.00 -0.91 0.00 0.00 33.84 32.89 3iv9 n VAL 1110CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3iv9 n TYR 1111N -0.03 -0.02 0.02 3.52 0.53 -0.89 -0.48 117.16 119.80 3iv9 n TYR 1111Ca 0.00 0.07 -0.18 0.00 -1.02 0.00 0.00 57.90 56.77 3iv9 n TYR 1111Cb 0.00 -0.23 -0.12 0.00 -1.03 0.00 0.00 39.34 37.97 3iv9 n TYR 1111CO 0.00 0.00 0.00 2.35 -1.02 0.00 0.00 176.86 178.19 3iv9 h TRP 1112N 0.00 0.64 -2.43 -0.72 2.91 -1.13 -1.47 115.95 113.75 3iv9 h TRP 1112Ca 0.01 -0.37 -0.11 0.00 1.13 0.00 0.00 58.89 59.55 3iv9 h TRP 1112Cb 0.02 -0.06 0.04 0.00 -0.51 0.00 0.00 29.16 28.65 3iv9 h TRP 1112CO -0.32 1.21 -0.19 0.41 -1.03 0.00 0.00 178.44 178.51 3iv9 n GLY 1113N 1.19 0.50 0.95 2.65 0.00 0.37 -0.79 105.19 110.06 3iv9 n GLY 1113Ca -0.11 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.58 3iv9 n GLY 1113CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3iv9 n TYR 1114N -3.09 0.98 -2.68 1.61 0.18 -0.90 -4.60 117.16 108.66 3iv9 n TYR 1114Ca -0.00 -0.81 -0.05 0.00 1.88 0.00 0.00 57.90 58.91 3iv9 n TYR 1114Cb 0.52 -0.29 0.08 0.00 -0.38 0.00 0.00 39.34 39.27 3iv9 n TYR 1114CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3iv9 n ALA 1115N -0.25 -1.80 0.13 -3.48 0.00 -0.17 -5.00 120.51 109.94 3iv9 n ALA 1115Ca 0.21 -0.80 0.02 0.00 0.00 0.00 0.00 53.44 52.87 3iv9 n ALA 1115Cb 0.86 -1.91 0.39 0.00 0.00 0.00 0.00 19.45 18.78 3iv9 n ALA 1115CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3iv9 h PRO 1116N 2.16 0.20 -0.32 0.00 0.13 -1.73 -2.41 132.00 130.03 3iv9 h PRO 1116Ca -0.31 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3iv9 h PRO 1116Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3iv9 h PRO 1116CO -0.02 0.37 0.00 0.09 -0.23 0.00 0.00 178.00 178.21 3iv9 n ASN 1117N -4.26 2.72 -4.73 1.44 3.02 -1.26 -4.91 115.26 107.28 3iv9 n ASN 1117Ca -0.01 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.23 3iv9 n ASN 1117Cb 0.28 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 3iv9 n ASN 1117CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3iv9 n GLU 1118N 1.01 2.69 -3.65 3.52 2.13 -0.91 -4.99 120.64 120.45 3iv9 n GLU 1118Ca 0.18 0.96 -0.22 0.00 0.66 0.00 0.00 57.16 58.74 3iv9 n GLU 1118Cb 0.48 -2.76 -0.18 0.00 0.27 0.00 0.00 31.44 29.25 3iv9 n GLU 1118CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3iv9 s ASN 1119N 0.74 1.60 0.05 4.31 2.47 -1.26 -5.04 114.94 117.80 3iv9 s ASN 1119Ca 0.69 -0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.79 3iv9 s ASN 1119Cb -0.51 -0.17 -0.03 0.00 -1.45 0.00 0.00 41.25 39.09 3iv9 s ASN 1119CO 0.42 -0.29 -0.04 -0.76 -3.72 0.00 0.00 177.10 172.71 3iv9 s LEU 1120N 2.16 2.36 0.30 3.21 1.43 -1.26 -5.15 118.68 121.73 3iv9 s LEU 1120Ca 0.04 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 3iv9 s LEU 1120Cb -0.14 0.06 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 3iv9 s LEU 1120CO -0.05 -0.40 0.46 -0.94 0.23 0.00 0.00 176.35 175.64 3iv9 s SER 1121N -2.18 6.31 0.39 2.29 1.04 -1.26 -4.92 113.70 115.37 3iv9 s SER 1121Ca -0.04 0.28 0.22 0.00 0.48 0.00 0.00 55.95 56.90 3iv9 s SER 1121Cb -0.02 -1.96 1.24 0.00 0.10 0.00 0.00 66.02 65.39 3iv9 s SER 1121CO -0.04 -0.19 1.66 -1.13 0.98 0.00 0.00 173.24 174.52 3iv9 h ASN 1122N 0.98 0.38 0.28 7.02 -1.24 -1.99 -0.82 115.58 120.19 3iv9 h ASN 1122Ca -0.51 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 56.65 3iv9 h ASN 1122Cb 1.22 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.38 3iv9 h ASN 1122CO 0.61 -0.13 -0.24 -0.08 -1.29 0.00 0.00 177.43 176.30 3iv9 h GLU 1123N 0.22 -0.49 -1.00 6.67 4.57 -1.98 -2.06 114.58 120.51 3iv9 h GLU 1123Ca 0.75 0.03 0.20 0.00 -1.18 0.00 0.00 59.36 59.17 3iv9 h GLU 1123Cb 2.04 0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 30.63 3iv9 h GLU 1123CO -0.48 -0.33 0.61 0.93 -1.18 0.00 0.00 179.01 178.56 3iv9 h GLU 1124N -0.51 0.70 -0.27 1.92 3.07 -1.55 -0.85 114.58 117.09 3iv9 h GLU 1124Ca -0.04 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3iv9 h GLU 1124Cb 0.43 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 3iv9 h GLU 1124CO -0.01 0.46 0.02 -0.07 -1.40 0.00 0.00 179.01 178.01 3iv9 h LEU 1125N 0.72 -0.06 -1.54 1.33 3.38 -1.11 0.20 115.31 118.23 3iv9 h LEU 1125Ca 0.59 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.61 3iv9 h LEU 1125Cb 0.98 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3iv9 h LEU 1125CO -0.39 -0.00 0.23 0.40 0.09 0.00 0.00 178.44 178.77 3iv9 h ILE 1126N 0.10 1.12 0.00 1.22 1.08 -0.46 0.30 117.51 120.88 3iv9 h ILE 1126Ca 0.13 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 3iv9 h ILE 1126Cb 0.15 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 3iv9 h ILE 1126CO -0.20 0.13 0.00 0.54 -0.69 0.00 0.00 178.15 177.93 3iv9 n ARG 1127N -4.45 0.10 -3.16 2.37 1.74 -0.49 -4.90 116.66 107.87 3iv9 n ARG 1127Ca 0.03 0.08 -0.15 0.00 -0.77 0.00 0.00 57.85 57.04 3iv9 n ARG 1127Cb 0.09 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.08 3iv9 n ARG 1127CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3iv9 n GLU 1128N -1.44 -4.95 -1.03 5.56 1.02 0.10 -4.89 120.64 115.01 3iv9 n GLU 1128Ca 0.07 0.52 -0.31 0.00 -0.02 0.00 0.00 57.16 57.42 3iv9 n GLU 1128Cb 0.26 -4.63 -0.03 0.00 -0.02 0.00 0.00 31.44 27.02 3iv9 n GLU 1128CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iv9 n ASN 1129N -1.43 5.28 -3.43 1.62 4.13 -0.33 -4.81 115.26 116.29 3iv9 n ASN 1129Ca -0.01 -2.49 -0.10 0.00 1.68 0.00 0.00 54.58 53.66 3iv9 n ASN 1129Cb 0.54 -1.26 -0.02 0.00 -1.54 0.00 0.00 39.78 37.51 3iv9 n ASN 1129CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 3iv9 s TYR 1130N 3.39 0.42 -0.22 3.10 -0.85 -1.26 -4.90 117.35 117.03 3iv9 s TYR 1130Ca 0.50 -0.86 -0.14 0.00 -0.52 0.00 0.00 57.07 56.06 3iv9 s TYR 1130Cb 0.13 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 3iv9 s TYR 1130CO -0.02 -1.24 0.31 -1.14 -1.52 0.00 0.00 175.55 171.94 3iv9 s GLN 1131N -3.20 4.14 0.00 -3.49 0.74 -1.26 -4.97 119.66 111.61 3iv9 s GLN 1131Ca 0.21 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.65 3iv9 s GLN 1131Cb -0.03 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.55 3iv9 s GLN 1131CO 0.13 0.00 0.00 0.41 -0.55 0.00 0.00 175.29 175.28 3iv9 n GLY 1132N 4.05 2.19 3.14 2.59 0.00 -1.25 -4.88 105.19 111.02 3iv9 n GLY 1132Ca -0.11 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 3iv9 n GLY 1132CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iv9 s ILE 1133N -2.63 0.85 -0.58 -0.61 -4.36 -0.97 -4.99 121.20 107.91 3iv9 s ILE 1133Ca 0.00 -1.35 0.06 0.00 -0.26 0.00 0.00 60.65 59.10 3iv9 s ILE 1133Cb 0.00 -1.02 0.32 0.00 1.25 0.00 0.00 42.46 43.01 3iv9 s ILE 1133CO 0.00 -0.40 0.89 -2.11 0.24 0.00 0.00 174.94 173.56 3iv9 n ARG 1134N 1.09 2.94 -1.39 0.37 1.85 -1.26 -1.14 116.66 119.11 3iv9 n ARG 1134Ca -0.20 -4.73 -0.35 0.00 -1.00 0.00 0.00 57.85 51.57 3iv9 n ARG 1134Cb 0.56 -2.20 0.09 0.00 -1.05 0.00 0.00 32.46 29.86 3iv9 n ARG 1134CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3iv9 n PRO 1135N 0.05 0.59 -4.15 2.89 -0.04 -1.26 -4.44 135.00 128.63 3iv9 n PRO 1135Ca 0.30 0.26 -0.15 0.00 -0.04 0.00 0.00 63.50 63.87 3iv9 n PRO 1135Cb 0.41 -2.38 -0.14 0.00 -0.04 0.00 0.00 33.50 31.36 3iv9 n PRO 1135CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iv9 s ALA 1136N -1.78 0.52 -0.35 0.55 0.00 -1.26 0.03 121.76 119.47 3iv9 s ALA 1136Ca 0.76 -0.40 -0.42 0.00 0.00 0.00 0.00 51.96 51.90 3iv9 s ALA 1136Cb -0.34 -0.08 -0.17 0.00 0.00 0.00 0.00 23.12 22.53 3iv9 s ALA 1136CO 0.47 0.08 1.70 -2.30 0.00 0.00 0.00 175.76 175.72 3iv9 n PRO 1137N 2.51 0.80 0.00 0.00 -0.02 -1.26 -2.04 135.00 134.98 3iv9 n PRO 1137Ca -0.16 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3iv9 n PRO 1137Cb 0.57 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3iv9 n PRO 1137CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iv9 n GLY 1138N 4.13 3.55 3.63 -1.23 0.00 0.20 -4.89 105.19 110.58 3iv9 n GLY 1138Ca 0.28 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 3iv9 n GLY 1138CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iv9 n TYR 1139N 0.00 0.56 0.27 1.61 4.01 -0.87 -4.33 117.16 118.41 3iv9 n TYR 1139Ca 0.00 0.37 0.12 0.00 -0.16 0.00 0.00 57.90 58.24 3iv9 n TYR 1139Cb 0.00 -2.00 0.65 0.00 -0.31 0.00 0.00 39.34 37.68 3iv9 n TYR 1139CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3iv9 h PRO 1140N -1.37 0.00 -0.00 -0.72 0.13 -1.90 -0.46 132.00 127.68 3iv9 h PRO 1140Ca -0.44 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 3iv9 h PRO 1140Cb 1.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.43 3iv9 h PRO 1140CO 0.42 0.00 -0.78 0.00 -0.23 0.00 0.00 178.00 177.40 3iv9 h ALA 1141N 1.34 0.10 -2.41 -0.56 0.00 -1.75 0.38 119.26 116.36 3iv9 h ALA 1141Ca 0.00 -0.62 -0.59 0.00 0.00 0.00 0.00 54.91 53.70 3iv9 h ALA 1141Cb 0.59 0.04 -0.38 0.00 0.00 0.00 0.00 17.79 18.04 3iv9 h ALA 1141CO 0.00 0.49 -0.95 0.00 0.00 0.00 0.00 179.25 178.79 3iv9 h PRO 1143N 5.49 0.47 -6.01 0.00 0.13 -1.54 0.59 132.00 131.13 3iv9 h PRO 1143Ca 0.25 -0.09 -0.58 0.00 -0.87 0.00 0.00 66.00 64.71 3iv9 h PRO 1143Cb 0.89 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 3iv9 h PRO 1143CO 0.41 0.48 1.47 -2.00 -0.23 0.00 0.00 178.00 178.14 3iv9 s GLU 1144N -5.00 3.10 0.24 0.86 -6.30 -1.26 -3.91 118.70 106.42 3iv9 s GLU 1144Ca -0.07 1.91 0.04 0.00 -2.50 0.00 0.00 54.97 54.35 3iv9 s GLU 1144Cb 0.16 -4.36 0.26 0.00 0.00 0.00 0.00 34.13 30.18 3iv9 s GLU 1144CO 0.75 -2.14 1.57 0.45 0.02 0.00 0.00 175.26 175.91 3iv9 h HIS 1145N 15.04 0.36 0.00 5.30 3.86 -1.84 -3.20 115.15 134.67 3iv9 h HIS 1145Ca -0.39 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 58.69 3iv9 h HIS 1145Cb 1.23 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.63 3iv9 h HIS 1145CO 0.94 0.79 0.02 1.79 0.86 0.00 0.00 177.93 182.33 3iv9 h THR 1146N 0.22 0.00 0.00 2.45 1.35 -1.94 -0.73 112.91 114.26 3iv9 h THR 1146Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3iv9 h THR 1146Cb 1.06 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3iv9 h THR 1146CO 0.09 0.00 -0.00 -0.33 -0.25 0.00 0.00 175.52 175.03 3iv9 h GLU 1147N 0.00 0.00 -0.48 4.72 4.39 -1.95 0.13 114.58 121.39 3iv9 h GLU 1147Ca 0.00 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.84 3iv9 h GLU 1147Cb 0.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3iv9 h GLU 1147CO 0.00 0.00 0.35 0.87 -1.16 0.00 0.00 179.01 179.07 3iv9 h LYS 1148N 0.00 0.00 -0.08 2.33 1.57 -1.38 0.48 116.57 119.49 3iv9 h LYS 1148Ca -0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3iv9 h LYS 1148Cb 0.19 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 3iv9 h LYS 1148CO 0.00 0.00 -0.38 0.00 -0.57 0.00 0.00 179.45 178.50 3iv9 h ALA 1149N 1.75 -0.53 -0.35 3.86 0.00 -1.18 -0.17 119.26 122.64 3iv9 h ALA 1149Ca 0.23 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.21 3iv9 h ALA 1149Cb 0.93 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 3iv9 h ALA 1149CO -0.00 -0.88 -0.23 1.15 0.00 0.00 0.00 179.25 179.28 3iv9 h THR 1150N -0.48 0.38 -0.51 0.00 2.02 -1.07 0.28 112.91 113.52 3iv9 h THR 1150Ca 0.07 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.29 3iv9 h THR 1150Cb 0.60 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3iv9 h THR 1150CO -0.35 0.00 0.34 0.40 0.37 0.00 0.00 175.52 176.28 3iv9 h ILE 1151N -0.18 1.03 0.00 3.11 2.04 -1.25 0.13 117.51 122.40 3iv9 h ILE 1151Ca 0.18 -0.19 -0.14 0.00 1.00 0.00 0.00 64.86 65.71 3iv9 h ILE 1151Cb 0.46 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3iv9 h ILE 1151CO -0.46 0.10 -0.66 -0.50 0.00 0.00 0.00 178.15 176.63 3iv9 h TRP 1152N 0.55 0.00 0.00 1.37 4.06 0.53 -3.02 115.95 119.44 3iv9 h TRP 1152Ca 0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 3iv9 h TRP 1152Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 3iv9 h TRP 1152CO -0.00 0.66 0.00 0.39 -3.56 0.00 0.00 178.44 175.93 3iv9 n GLU 1153N -3.32 0.00 0.16 0.49 1.02 0.82 -1.27 120.64 118.56 3iv9 n GLU 1153Ca 0.01 0.43 0.12 0.00 -0.02 0.00 0.00 57.16 57.70 3iv9 n GLU 1153Cb 0.78 -1.15 0.33 0.00 -0.02 0.00 0.00 31.44 31.38 3iv9 n GLU 1153CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3iv9 h LEU 1154N 0.00 0.00 0.00 -4.62 3.38 -0.94 0.10 115.31 113.24 3iv9 h LEU 1154Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iv9 h LEU 1154Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3iv9 h LEU 1154CO 0.00 0.00 -1.10 0.18 0.09 0.00 0.00 178.44 177.61 3iv9 n LEU 1155N -2.88 0.16 -3.69 1.67 4.77 -1.14 -4.89 117.00 111.01 3iv9 n LEU 1155Ca 0.07 -0.18 -0.24 0.00 -0.03 0.00 0.00 56.01 55.62 3iv9 n LEU 1155Cb 1.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.14 3iv9 n LEU 1155CO 0.11 0.04 0.12 -0.62 -1.33 0.00 0.00 177.39 175.71 3iv9 n GLU 1156N -1.62 -6.39 -0.12 3.23 -0.58 0.36 -4.76 120.64 110.77 3iv9 n GLU 1156Ca -0.01 0.72 -0.12 0.00 -0.42 0.00 0.00 57.16 57.34 3iv9 n GLU 1156Cb 0.22 -5.62 -0.07 0.00 -0.57 0.00 0.00 31.44 25.40 3iv9 n GLU 1156CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3iv9 h VAL 1157N -2.21 0.06 -0.11 2.62 2.07 -1.79 0.86 116.25 117.75 3iv9 h VAL 1157Ca -0.59 0.00 0.03 0.00 0.82 0.00 0.00 66.70 66.97 3iv9 h VAL 1157Cb 1.36 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3iv9 h VAL 1157CO 0.58 0.00 0.18 -0.08 0.02 0.00 0.00 177.57 178.28 3iv9 h GLU 1158N -0.39 0.00 0.00 1.57 4.81 -1.85 0.73 114.58 119.46 3iv9 h GLU 1158Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3iv9 h GLU 1158Cb 0.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3iv9 h GLU 1158CO -0.56 0.00 -0.45 0.87 -0.73 0.00 0.00 179.01 178.14 3iv9 h LYS 1159N 0.00 0.00 0.00 1.92 1.57 -1.17 -2.83 116.57 116.05 3iv9 h LYS 1159Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3iv9 h LYS 1159Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3iv9 h LYS 1159CO -0.00 0.00 -0.92 0.72 -0.57 0.00 0.00 179.45 178.68 3iv9 n HIS 1160N -2.80 0.00 0.00 -1.35 8.25 0.16 -4.84 115.22 114.64 3iv9 n HIS 1160Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3iv9 n HIS 1160Cb 0.52 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.56 3iv9 n HIS 1160CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3iv9 n THR 1161N -1.50 0.00 0.00 1.59 -2.24 0.23 -4.86 114.28 107.50 3iv9 n THR 1161Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3iv9 n THR 1161Cb 0.10 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 3iv9 n THR 1161CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iv9 n GLY 1162N 2.87 3.05 3.49 3.38 0.00 -1.07 -4.97 105.19 111.94 3iv9 n GLY 1162Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3iv9 n GLY 1162CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iv9 n MET 1163N -1.29 0.29 -4.06 1.61 2.81 -1.26 -4.82 117.12 110.40 3iv9 n MET 1163Ca 0.00 0.14 -0.07 0.00 -1.81 0.00 0.00 57.70 55.96 3iv9 n MET 1163Cb 0.00 -1.91 -0.10 0.00 -0.71 0.00 0.00 33.22 30.51 3iv9 n MET 1163CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3iv9 s LYS 1164N -2.94 0.64 -0.20 0.03 1.02 -1.08 -3.60 119.74 113.61 3iv9 s LYS 1164Ca 0.66 -1.18 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 3iv9 s LYS 1164Cb -0.34 0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.19 3iv9 s LYS 1164CO 0.57 -0.13 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.31 3iv9 s LEU 1165N -2.90 2.88 0.00 3.17 1.43 -1.26 -1.54 118.68 120.46 3iv9 s LEU 1165Ca 0.07 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3iv9 s LEU 1165Cb 0.07 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3iv9 s LEU 1165CO -0.10 0.02 0.00 0.35 0.23 0.00 0.00 176.35 176.85 3iv9 n THR 1166N 4.54 0.00 -0.04 5.49 -2.24 -0.88 -4.90 114.28 116.25 3iv9 n THR 1166Ca -0.18 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.39 3iv9 n THR 1166Cb 0.51 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.61 3iv9 n THR 1166CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3iv9 h GLU 1167N 0.00 0.13 -0.85 -0.78 3.07 -1.92 -3.32 114.58 110.90 3iv9 h GLU 1167Ca 0.00 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 3iv9 h GLU 1167Cb 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3iv9 h GLU 1167CO 0.00 1.10 0.00 0.43 -1.40 0.00 0.00 179.01 179.14 3iv9 n SER 1168N -4.18 0.90 -2.40 1.42 7.64 -1.26 -4.79 113.62 110.95 3iv9 n SER 1168Ca -0.25 -2.01 -0.19 0.00 1.01 0.00 0.00 58.87 57.43 3iv9 n SER 1168Cb 0.77 -0.43 0.01 0.00 -1.01 0.00 0.00 64.21 63.55 3iv9 n SER 1168CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3iv9 n PHE 1169N -0.06 -1.35 -2.08 1.43 3.72 -1.25 -4.96 117.46 112.91 3iv9 n PHE 1169Ca 0.00 0.26 -0.27 0.00 -0.05 0.00 0.00 57.45 57.39 3iv9 n PHE 1169Cb 0.22 -3.85 0.08 0.00 -0.94 0.00 0.00 39.48 34.99 3iv9 n PHE 1169CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iv9 s ALA 1170N -3.01 2.95 0.51 4.37 0.00 -1.26 -4.83 121.76 120.49 3iv9 s ALA 1170Ca 0.15 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.34 3iv9 s ALA 1170Cb -0.07 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.32 3iv9 s ALA 1170CO 0.19 -1.46 0.24 -1.64 0.00 0.00 0.00 175.76 173.09 3iv9 s MET 1171N -5.38 2.24 -0.19 0.00 1.00 -1.26 -2.07 119.30 113.63 3iv9 s MET 1171Ca 0.61 -2.09 -0.14 0.00 0.00 0.00 0.00 55.69 54.07 3iv9 s MET 1171Cb -0.11 -1.91 0.05 0.00 0.00 0.00 0.00 34.83 32.86 3iv9 s MET 1171CO 0.46 -0.43 0.48 -0.46 0.00 0.00 0.00 175.02 175.07 3iv9 s TRP 1172N -2.76 -0.61 1.32 -0.03 -0.00 -0.59 -4.39 118.94 111.88 3iv9 s TRP 1172Ca 0.27 1.38 -0.20 0.00 -0.00 0.00 0.00 56.10 57.55 3iv9 s TRP 1172Cb 0.00 0.26 0.33 0.00 -0.00 0.00 0.00 33.47 34.06 3iv9 s TRP 1172CO 0.16 -0.31 1.00 -2.14 -0.00 0.00 0.00 176.95 175.66 3iv9 s PRO 1173N 0.78 -2.13 0.14 5.86 0.02 -1.26 -2.62 135.00 135.79 3iv9 s PRO 1173Ca -0.04 0.14 -0.19 0.00 0.02 0.00 0.00 61.00 60.93 3iv9 s PRO 1173Cb -0.05 -1.47 0.02 0.00 0.02 0.00 0.00 34.50 33.02 3iv9 s PRO 1173CO -0.06 -4.35 1.70 0.78 -0.33 0.00 0.00 177.00 174.73 3iv9 h GLY 1174N -3.05 0.22 -7.61 0.52 0.00 -1.93 -3.28 103.07 87.94 3iv9 h GLY 1174Ca -0.46 0.07 -0.54 0.00 0.00 0.00 0.00 47.33 46.40 3iv9 h GLY 1174CO 0.33 -0.09 1.70 0.00 0.00 0.00 0.00 176.54 178.48 3iv9 s ALA 1175N -6.20 2.69 -0.09 3.60 0.00 -1.26 -4.87 121.76 115.63 3iv9 s ALA 1175Ca -0.13 -2.53 -0.16 0.00 0.00 0.00 0.00 51.96 49.13 3iv9 s ALA 1175Cb 0.12 -4.64 0.04 0.00 0.00 0.00 0.00 23.12 18.63 3iv9 s ALA 1175CO 0.69 -4.01 0.40 -1.12 0.00 0.00 0.00 175.76 171.72 3iv9 s SER 1176N 5.22 -0.36 0.06 0.00 0.01 -1.24 -1.99 113.70 115.40 3iv9 s SER 1176Ca 0.58 0.51 0.04 0.00 1.31 0.00 0.00 55.95 58.39 3iv9 s SER 1176Cb 0.01 0.59 -0.03 0.00 0.21 0.00 0.00 66.02 66.81 3iv9 s SER 1176CO 0.07 -0.32 -0.12 -0.69 0.41 0.00 0.00 173.24 172.59 3iv9 s VAL 1177N -0.58 0.88 -0.25 3.43 1.01 0.18 -4.99 120.40 120.08 3iv9 s VAL 1177Ca -0.07 -1.20 -0.22 0.00 0.00 0.00 0.00 61.98 60.49 3iv9 s VAL 1177Cb -0.04 -0.88 0.07 0.00 0.00 0.00 0.00 36.38 35.53 3iv9 s VAL 1177CO 0.03 -0.28 0.66 -0.94 0.00 0.00 0.00 175.10 174.57 3iv9 s SER 1178N -1.64 -0.71 0.00 3.32 1.04 -1.26 0.17 113.70 114.61 3iv9 s SER 1178Ca -0.05 1.34 0.00 0.00 0.48 0.00 0.00 55.95 57.72 3iv9 s SER 1178Cb -0.10 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.36 3iv9 s SER 1178CO 0.01 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.62 3iv9 n GLY 1179N 2.94 2.42 0.27 7.32 0.00 -0.79 -4.24 105.19 113.11 3iv9 n GLY 1179Ca -0.15 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 3iv9 n GLY 1179CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iv9 n TRP 1180N 0.00 -1.45 -3.73 1.61 7.02 0.10 -1.61 117.44 119.38 3iv9 n TRP 1180Ca 0.00 -0.17 -0.13 0.00 -1.02 0.00 0.00 57.50 56.18 3iv9 n TRP 1180Cb 0.00 -0.03 -0.14 0.00 -2.42 0.00 0.00 31.31 28.72 3iv9 n TRP 1180CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 3iv9 s TYR 1181N -0.18 -0.27 -0.01 -5.99 2.02 0.09 -4.14 117.35 108.86 3iv9 s TYR 1181Ca 0.02 0.67 0.04 0.00 -0.37 0.00 0.00 57.07 57.44 3iv9 s TYR 1181Cb -0.00 -0.01 -0.01 0.00 -0.40 0.00 0.00 41.96 41.54 3iv9 s TYR 1181CO 0.01 -0.21 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.59 3iv9 s PHE 1182N 1.28 1.18 -0.25 2.71 0.40 -0.29 -2.79 117.98 120.22 3iv9 s PHE 1182Ca -0.09 -0.24 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 3iv9 s PHE 1182Cb -0.11 -0.77 -0.18 0.00 0.51 0.00 0.00 43.02 42.47 3iv9 s PHE 1182CO -0.08 -0.04 -0.18 -1.13 0.70 0.00 0.00 175.22 174.50 3iv9 n SER 1183N 2.84 1.66 -3.32 1.36 3.41 -1.26 -2.30 113.62 116.00 3iv9 n SER 1183Ca -0.15 -0.12 -0.48 0.00 -0.26 0.00 0.00 58.87 57.87 3iv9 n SER 1183Cb 0.55 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 3iv9 n SER 1183CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3iv9 n HIS 1184N -3.18 1.23 0.00 7.33 -0.00 -1.26 -3.88 115.22 115.46 3iv9 n HIS 1184Ca -0.44 0.80 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 3iv9 n HIS 1184Cb 1.02 -1.56 0.00 0.00 -0.00 0.00 0.00 29.99 29.45 3iv9 n HIS 1184CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3iv9 n PRO 1185N 2.80 0.00 0.00 1.57 -0.04 -1.26 -1.39 135.00 136.68 3iv9 n PRO 1185Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3iv9 n PRO 1185Cb -0.04 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 3iv9 n PRO 1185CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3iv9 n ASP 1186N -0.58 0.24 -4.69 3.54 8.00 -1.26 -4.84 116.55 116.96 3iv9 n ASP 1186Ca 0.00 -0.60 -0.45 0.00 0.71 0.00 0.00 54.79 54.46 3iv9 n ASP 1186Cb 0.00 0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 41.71 3iv9 n ASP 1186CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3iv9 n SER 1187N -0.65 3.58 -4.11 -2.24 3.41 -0.48 -4.98 113.62 108.15 3iv9 n SER 1187Ca 0.00 1.04 -0.10 0.00 -0.26 0.00 0.00 58.87 59.55 3iv9 n SER 1187Cb 0.01 -1.48 -0.10 0.00 -0.26 0.00 0.00 64.21 62.37 3iv9 n SER 1187CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3iv9 s LYS 1188N 1.90 0.67 -0.21 4.33 1.02 -1.26 -4.53 119.74 121.66 3iv9 s LYS 1188Ca 0.81 -1.12 -0.26 0.00 0.02 0.00 0.00 55.97 55.42 3iv9 s LYS 1188Cb -0.59 -0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 3iv9 s LYS 1188CO 0.38 -0.03 0.89 0.71 -0.92 0.00 0.00 175.35 176.39 3iv9 s TYR 1189N -3.01 3.37 0.00 3.18 2.02 -1.26 -5.02 117.35 116.62 3iv9 s TYR 1189Ca 0.04 1.28 0.00 0.00 -0.37 0.00 0.00 57.07 58.01 3iv9 s TYR 1189Cb 0.01 -3.09 0.00 0.00 -0.40 0.00 0.00 41.96 38.48 3iv9 s TYR 1189CO -0.04 -0.35 0.00 2.48 -1.57 0.00 0.00 175.55 176.06 3iv9 n TYR 1190N 5.75 0.00 -4.11 2.71 0.18 -1.26 -5.03 117.16 115.40 3iv9 n TYR 1190Ca 0.07 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.57 3iv9 n TYR 1190Cb 0.48 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.27 3iv9 n TYR 1190CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3iv9 s ALA 1191N -2.00 1.50 0.62 -3.48 0.00 -1.25 -2.12 121.76 115.04 3iv9 s ALA 1191Ca 0.00 -0.64 0.34 0.00 0.00 0.00 0.00 51.96 51.65 3iv9 s ALA 1191Cb 0.00 -0.89 1.93 0.00 0.00 0.00 0.00 23.12 24.16 3iv9 s ALA 1191CO 0.00 -0.28 2.20 0.28 0.00 0.00 0.00 175.76 177.96 3iv9 h VAL 1192N 6.08 0.29 0.00 0.00 2.07 -0.49 -3.45 116.25 120.76 3iv9 h VAL 1192Ca -0.32 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3iv9 h VAL 1192Cb 1.15 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3iv9 h VAL 1192CO 0.46 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.05 3iv9 n ALA 1193N -2.20 0.00 -2.56 1.67 0.00 -1.26 -3.88 120.51 112.28 3iv9 n ALA 1193Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 3iv9 n ALA 1193Cb 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 3iv9 n ALA 1193CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3iv9 s GLN 1194N 0.00 3.63 -0.23 0.00 -1.52 -1.24 -4.58 119.66 115.72 3iv9 s GLN 1194Ca 0.00 -0.18 -0.11 0.00 -1.95 0.00 0.00 55.36 53.12 3iv9 s GLN 1194Cb 0.00 -3.80 -0.05 0.00 -0.22 0.00 0.00 33.01 28.94 3iv9 s GLN 1194CO 0.00 -0.61 0.16 0.96 -0.25 0.00 0.00 175.29 175.55 3iv9 s ILE 1195N 2.33 5.37 1.01 1.08 -4.36 0.27 -3.87 121.20 123.02 3iv9 s ILE 1195Ca 0.18 0.20 -0.16 0.00 -0.26 0.00 0.00 60.65 60.61 3iv9 s ILE 1195Cb -0.16 -3.50 0.20 0.00 1.25 0.00 0.00 42.46 40.26 3iv9 s ILE 1195CO 0.13 0.37 1.22 -1.10 0.24 0.00 0.00 174.94 175.80 3iv9 s GLN 1196N 0.84 0.29 0.09 0.37 -1.52 -1.26 -0.57 119.66 117.90 3iv9 s GLN 1196Ca 0.08 -0.15 -0.34 0.00 -1.95 0.00 0.00 55.36 53.00 3iv9 s GLN 1196Cb -0.13 -1.78 -0.15 0.00 -0.22 0.00 0.00 33.01 30.73 3iv9 s GLN 1196CO 0.03 -2.69 1.54 -0.09 -0.25 0.00 0.00 175.29 173.83 3iv9 h ARG 1197N -1.84 -0.80 -1.63 2.91 9.65 -1.97 -2.62 114.38 118.08 3iv9 h ARG 1197Ca -0.46 0.05 0.47 0.00 -1.10 0.00 0.00 59.98 58.95 3iv9 h ARG 1197Cb 1.28 0.18 -0.07 0.00 -1.39 0.00 0.00 29.97 29.97 3iv9 h ARG 1197CO 0.43 -0.53 1.21 0.38 2.80 0.00 0.00 179.97 184.25 3iv9 h ASP 1198N -0.83 0.00 0.34 -3.80 -0.00 -1.99 0.43 116.42 110.57 3iv9 h ASP 1198Ca -0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 57.03 56.68 3iv9 h ASP 1198Cb 0.79 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.09 3iv9 h ASP 1198CO -0.20 0.00 -1.74 -0.61 -0.00 0.00 0.00 179.24 176.69 3iv9 h GLN 1199N 0.00 0.19 -0.79 4.15 4.15 -1.85 -2.75 115.11 118.21 3iv9 h GLN 1199Ca 0.78 -0.33 0.02 0.00 0.77 0.00 0.00 58.65 59.88 3iv9 h GLN 1199Cb 3.18 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 30.95 3iv9 h GLN 1199CO -0.01 0.99 0.52 0.28 -1.93 0.00 0.00 178.83 178.68 3iv9 h VAL 1200N 0.05 1.17 0.69 2.39 2.07 0.15 0.62 116.25 123.39 3iv9 h VAL 1200Ca -0.32 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3iv9 h VAL 1200Cb 2.02 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3iv9 h VAL 1200CO 0.12 0.19 -0.33 -0.33 0.02 0.00 0.00 177.57 177.23 3iv9 h GLU 1201N 1.04 -0.89 -0.91 1.57 5.08 -1.32 0.13 114.58 119.27 3iv9 h GLU 1201Ca 0.30 0.06 0.18 0.00 -1.00 0.00 0.00 59.36 58.91 3iv9 h GLU 1201Cb -0.07 0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 3iv9 h GLU 1201CO -0.08 -0.58 0.59 0.22 -1.00 0.00 0.00 179.01 178.16 3iv9 h ASP 1202N -1.21 0.54 -0.11 1.42 3.58 -1.26 0.56 116.42 119.94 3iv9 h ASP 1202Ca -0.09 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 3iv9 h ASP 1202Cb 0.72 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.72 3iv9 h ASP 1202CO 0.16 0.23 -0.31 0.22 -2.88 0.00 0.00 179.24 176.66 3iv9 h TYR 1203N 0.55 0.52 0.00 0.28 3.20 0.31 -0.92 116.97 120.91 3iv9 h TYR 1203Ca 0.48 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 3iv9 h TYR 1203Cb 0.99 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 3iv9 h TYR 1203CO -0.00 0.92 -0.01 0.00 -1.64 0.00 0.00 178.16 177.44 3iv9 h ALA 1204N 0.50 1.04 0.21 1.82 0.00 0.14 0.16 119.26 123.13 3iv9 h ALA 1204Ca -0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 3iv9 h ALA 1204Cb 0.92 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.74 3iv9 h ALA 1204CO 0.07 0.01 -1.48 -0.09 0.00 0.00 0.00 179.25 177.76 3iv9 h ARG 1205N 0.00 0.45 0.00 0.00 2.43 0.43 0.16 114.38 117.86 3iv9 h ARG 1205Ca -0.00 -0.77 -0.10 0.00 -0.81 0.00 0.00 59.98 58.29 3iv9 h ARG 1205Cb 0.12 0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3iv9 h ARG 1205CO 0.00 1.36 -0.48 0.00 -1.51 0.00 0.00 179.97 179.34 3iv9 h ARG 1206N 0.12 0.00 0.00 0.20 3.08 0.26 -3.18 114.38 114.86 3iv9 h ARG 1206Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3iv9 h ARG 1206Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.17 3iv9 h ARG 1206CO 0.24 0.48 -1.44 1.63 -1.07 0.00 0.00 179.97 179.82 3iv9 n LYS 1207N -3.26 0.61 -1.01 0.04 4.76 0.42 -4.95 118.16 114.77 3iv9 n LYS 1207Ca 0.02 -0.02 -0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3iv9 n LYS 1207Cb 0.71 -1.68 -0.00 0.00 -1.84 0.00 0.00 35.03 32.21 3iv9 n LYS 1207CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iv9 n GLY 1208N 1.23 0.47 3.84 0.72 0.00 0.08 -5.02 105.19 106.51 3iv9 n GLY 1208Ca -0.02 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 3iv9 n GLY 1208CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iv9 s MET 1209N -0.69 4.08 0.05 1.61 -1.94 0.35 -4.97 119.30 117.79 3iv9 s MET 1209Ca 0.00 0.71 -0.30 0.00 -1.71 0.00 0.00 55.69 54.39 3iv9 s MET 1209Cb 0.00 -2.61 -0.08 0.00 2.01 0.00 0.00 34.83 34.14 3iv9 s MET 1209CO 0.00 0.26 1.79 -1.54 -0.01 0.00 0.00 175.02 175.52 3iv9 s SER 1210N -2.05 6.53 0.30 3.03 1.04 -1.26 -4.47 113.70 116.82 3iv9 s SER 1210Ca 0.49 2.56 0.20 0.00 0.48 0.00 0.00 55.95 59.69 3iv9 s SER 1210Cb -0.13 -2.55 1.04 0.00 0.10 0.00 0.00 66.02 64.48 3iv9 s SER 1210CO 0.19 -0.97 1.13 0.52 0.98 0.00 0.00 173.24 175.09 3iv9 n VAL 1211N 5.11 -0.23 0.15 5.02 0.31 -1.26 0.01 118.33 127.43 3iv9 n VAL 1211Ca 0.18 1.37 -0.09 0.00 -0.01 0.00 0.00 64.34 65.79 3iv9 n VAL 1211Cb 0.40 -2.24 -0.05 0.00 -0.91 0.00 0.00 33.84 31.05 3iv9 n VAL 1211CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3iv9 h THR 1212N 0.00 0.21 -0.97 2.52 1.35 -1.96 -2.65 112.91 111.41 3iv9 h THR 1212Ca 0.63 -0.73 0.30 0.00 -0.55 0.00 0.00 66.41 66.06 3iv9 h THR 1212Cb 1.89 0.35 -0.15 0.00 -1.73 0.00 0.00 68.15 68.50 3iv9 h THR 1212CO -0.42 0.05 0.45 -0.08 -0.25 0.00 0.00 175.52 175.27 3iv9 h GLU 1213N -1.07 0.27 -0.08 4.72 4.81 -0.78 0.87 114.58 123.32 3iv9 h GLU 1213Ca -0.05 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3iv9 h GLU 1213Cb 0.44 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3iv9 h GLU 1213CO 0.08 0.18 0.05 0.28 -0.73 0.00 0.00 179.01 178.86 3iv9 h VAL 1214N 0.27 1.05 -0.73 0.32 2.07 -1.36 -1.44 116.25 116.44 3iv9 h VAL 1214Ca 0.68 -0.14 0.21 0.00 0.82 0.00 0.00 66.70 68.27 3iv9 h VAL 1214Cb 1.51 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 3iv9 h VAL 1214CO -0.63 0.05 0.62 -0.33 0.02 0.00 0.00 177.57 177.29 3iv9 h GLU 1215N 0.07 0.00 0.44 1.57 5.08 0.11 -1.98 114.58 119.87 3iv9 h GLU 1215Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3iv9 h GLU 1215Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3iv9 h GLU 1215CO -0.01 0.00 -0.21 -0.09 -1.00 0.00 0.00 179.01 177.71 3iv9 h ARG 1216N 0.00 -0.56 -0.30 2.33 2.43 -0.41 -2.35 114.38 115.51 3iv9 h ARG 1216Ca 0.35 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.64 3iv9 h ARG 1216Cb 1.58 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.24 3iv9 h ARG 1216CO -0.00 -0.38 0.34 -1.49 -1.51 0.00 0.00 179.97 176.93 3iv9 h TRP 1217N -1.12 0.00 -0.15 2.20 4.06 -1.17 -0.78 115.95 119.00 3iv9 h TRP 1217Ca -0.06 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.80 3iv9 h TRP 1217Cb 0.45 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.55 3iv9 h TRP 1217CO 0.00 0.00 -0.38 1.28 -3.56 0.00 0.00 178.44 175.78 3iv9 n LEU 1218N -3.71 3.28 0.05 -4.49 4.77 -0.95 -4.70 117.00 111.26 3iv9 n LEU 1218Ca 0.05 -3.92 -0.12 0.00 -0.03 0.00 0.00 56.01 51.98 3iv9 n LEU 1218Cb 0.49 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 3iv9 n LEU 1218CO 0.27 1.40 0.63 0.00 -1.33 0.00 0.00 177.39 178.36 3iv9 h ALA 1219N 1.06 -0.51 0.00 -1.18 0.00 -0.56 0.09 119.26 118.16 3iv9 h ALA 1219Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iv9 h ALA 1219Cb 1.23 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3iv9 h ALA 1219CO 0.17 -0.86 0.01 -2.30 0.00 0.00 0.00 179.25 176.26 3iv9 n PRO 1220N -5.42 0.12 -0.00 0.00 -0.02 -1.26 -1.79 135.00 126.62 3iv9 n PRO 1220Ca -0.05 0.62 0.07 0.00 -2.02 0.00 0.00 63.50 62.12 3iv9 n PRO 1220Cb 0.34 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 3iv9 n PRO 1220CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3iv9 n ASN 1221N -2.15 0.90 -4.71 2.55 4.13 -0.26 -4.95 115.26 110.78 3iv9 n ASN 1221Ca -0.01 -0.63 -0.43 0.00 1.68 0.00 0.00 54.58 55.19 3iv9 n ASN 1221Cb 0.04 1.19 -0.02 0.00 -1.54 0.00 0.00 39.78 39.45 3iv9 n ASN 1221CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3iv9 n LEU 1222N -1.54 3.81 -0.63 3.41 4.77 -0.14 -0.57 117.00 126.11 3iv9 n LEU 1222Ca 0.01 1.17 0.04 0.00 -0.03 0.00 0.00 56.01 57.20 3iv9 n LEU 1222Cb 0.28 -1.52 0.13 0.00 -2.33 0.00 0.00 43.42 39.98 3iv9 n LEU 1222CO 0.31 -0.20 0.57 0.61 -1.33 0.00 0.00 177.39 177.35 3iv9 n GLY 1223N 1.66 0.72 0.00 -0.72 0.00 0.26 -4.63 105.19 102.48 3iv9 n GLY 1223Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3iv9 n GLY 1223CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3iv9 n TYR 1224N 0.27 -0.04 -3.86 1.61 4.11 -1.26 -4.91 117.16 113.08 3iv9 n TYR 1224Ca 0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.69 3iv9 n TYR 1224Cb 0.32 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.55 3iv9 n TYR 1224CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3iv9 s ASP 1225N 0.73 4.96 0.57 9.48 1.11 -1.26 -5.08 116.67 127.17 3iv9 s ASP 1225Ca 0.00 -3.67 -0.00 0.00 0.18 0.00 0.00 52.55 49.06 3iv9 s ASP 1225Cb 0.00 -1.69 0.03 0.00 1.07 0.00 0.00 42.92 42.33 3iv9 s ASP 1225CO 0.00 -0.13 0.81 0.00 1.18 0.00 0.00 175.17 177.03 3iv9 s ALA 1226N -1.21 3.73 0.00 5.23 0.00 -1.26 -5.27 121.76 122.99 3iv9 s ALA 1226Ca 0.24 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3iv9 s ALA 1226Cb -0.09 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.84 3iv9 s ALA 1226CO -0.13 -0.82 0.00 -0.25 0.00 0.00 0.00 175.76 174.56