#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2piv s PRO 671 N 0.00 0.09 0.15 3.69 0.04 -1.26 -4.81 135.00 132.91 2piv s PRO 671 Ca 0.00 0.53 -0.16 0.00 0.04 0.00 0.00 61.00 61.41 2piv s PRO 671 Cb 0.00 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.87 2piv s PRO 671 CO 0.00 -2.96 1.80 0.82 0.04 0.00 0.00 177.00 176.70 2piv h ILE 672 N -2.06 1.06 -0.68 0.56 1.08 -2.06 -2.35 117.51 113.06 2piv h ILE 672 Ca -0.56 -0.17 0.13 0.00 -0.39 0.00 0.00 64.86 63.88 2piv h ILE 672 Cb 1.34 0.54 -0.10 0.00 -3.07 0.00 0.00 36.82 35.52 2piv h ILE 672 CO 0.57 0.09 0.17 0.15 -0.69 0.00 0.00 178.15 178.44 2piv h PHE 673 N 0.48 0.28 -0.52 1.37 3.57 -2.00 -1.44 116.94 118.68 2piv h PHE 673 Ca 0.15 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 2piv h PHE 673 Cb -0.02 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2piv h PHE 673 CO -0.07 -0.04 -0.15 1.25 -2.23 0.00 0.00 178.31 177.08 2piv h LEU 674 N 0.29 1.04 -0.92 0.59 5.85 -1.85 -2.54 115.31 117.78 2piv h LEU 674 Ca 0.37 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2piv h LEU 674 Cb 0.58 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2piv h LEU 674 CO -0.44 1.17 0.59 0.78 -0.34 0.00 0.00 178.44 180.20 2piv h ASN 675 N 0.90 0.99 -0.09 1.25 2.35 -0.76 -2.21 115.58 118.01 2piv h ASN 675 Ca 0.13 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2piv h ASN 675 Cb 0.73 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 2piv h ASN 675 CO 0.06 0.68 0.02 0.58 -1.65 0.00 0.00 177.43 177.11 2piv h VAL 676 N 1.15 1.21 -0.87 2.81 2.07 -1.19 -1.57 116.25 119.86 2piv h VAL 676 Ca 0.36 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.28 2piv h VAL 676 Cb 0.00 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2piv h VAL 676 CO -0.12 0.18 0.56 -0.07 0.02 0.00 0.00 177.57 178.15 2piv h LEU 677 N -0.07 0.93 -0.66 2.57 3.38 -1.23 -0.63 115.31 119.59 2piv h LEU 677 Ca 0.03 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2piv h LEU 677 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2piv h LEU 677 CO 0.00 0.64 -0.61 -0.33 0.09 0.00 0.00 178.44 178.23 2piv h GLU 678 N 1.09 0.00 0.05 1.13 5.08 -1.36 -2.83 114.58 117.74 2piv h GLU 678 Ca 0.35 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.46 2piv h GLU 678 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 2piv h GLU 678 CO -0.12 0.61 -1.07 0.00 -1.00 0.00 0.00 179.01 177.43 2piv h ALA 679 N 1.39 0.22 -0.01 3.43 0.00 -0.60 -3.30 119.26 120.39 2piv h ALA 679 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2piv h ALA 679 Cb 1.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2piv h ALA 679 CO 0.08 0.80 -0.25 0.44 0.00 0.00 0.00 179.25 180.32 2piv n ILE 680 N -3.73 0.00 -1.65 0.00 -5.35 -0.31 -4.91 119.36 103.42 2piv n ILE 680 Ca -0.09 -0.10 -0.47 0.00 -0.27 0.00 0.00 62.75 61.82 2piv n ILE 680 Cb 0.90 0.26 -0.05 0.00 -1.74 0.00 0.00 39.64 39.02 2piv n ILE 680 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2piv n GLU 681 N -0.83 2.10 -1.59 6.28 4.07 -1.07 -4.81 120.64 124.80 2piv n GLU 681 Ca 0.12 0.74 -0.39 0.00 -0.06 0.00 0.00 57.16 57.56 2piv n GLU 681 Cb 0.33 -2.73 0.03 0.00 -0.06 0.00 0.00 31.44 29.01 2piv n GLU 681 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2piv n PRO 682 N 7.16 1.04 -0.18 5.31 -0.02 -1.26 -5.02 135.00 142.03 2piv n PRO 682 Ca 0.25 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2piv n PRO 682 Cb 0.32 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2piv n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2piv n GLY 683 N 1.33 -0.18 3.75 -1.23 0.00 -1.26 -5.01 105.19 102.58 2piv n GLY 683 Ca 0.11 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 2piv n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2piv s VAL 684 N -0.09 2.72 -0.12 1.61 1.01 -1.26 -5.02 120.40 119.25 2piv s VAL 684 Ca 0.00 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.63 2piv s VAL 684 Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.99 2piv s VAL 684 CO 0.00 0.12 -0.12 -0.69 0.00 0.00 0.00 175.10 174.41 2piv s VAL 685 N -0.37 1.32 0.33 2.92 1.01 -1.26 -5.13 120.40 119.22 2piv s VAL 685 Ca 0.56 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 2piv s VAL 685 Cb -0.41 -1.26 -0.08 0.00 0.00 0.00 0.00 36.38 34.64 2piv s VAL 685 CO 0.46 0.41 0.70 0.00 0.00 0.00 0.00 175.10 176.68 2piv n ALA 687 N -0.65 2.70 -1.28 0.00 0.00 -1.26 -4.85 120.51 115.17 2piv n ALA 687 Ca 0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.16 2piv n ALA 687 Cb 0.53 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 2piv n ALA 687 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2piv n GLY 688 N 1.23 0.69 3.74 0.00 0.00 -1.26 -4.42 105.19 105.17 2piv n GLY 688 Ca 0.01 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 2piv n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2piv s HIS 689 N -2.20 3.67 -0.93 1.61 5.04 -1.26 -4.98 115.29 116.24 2piv s HIS 689 Ca 0.00 1.69 -0.19 0.00 -1.54 0.00 0.00 55.06 55.02 2piv s HIS 689 Cb 0.00 -3.21 0.12 0.00 0.04 0.00 0.00 32.58 29.53 2piv s HIS 689 CO 0.00 -0.35 1.15 0.34 -2.34 0.00 0.00 174.74 173.54 2piv s ASP 690 N -0.43 6.61 0.00 9.88 2.15 -1.26 -4.84 116.67 128.78 2piv s ASP 690 Ca 0.47 -1.98 0.02 0.00 0.43 0.00 0.00 52.55 51.48 2piv s ASP 690 Cb -0.29 -2.41 0.10 0.00 -0.30 0.00 0.00 42.92 40.02 2piv s ASP 690 CO 0.35 -1.11 0.82 0.59 -0.17 0.00 0.00 175.17 175.65 2piv n ASN 691 N 6.76 0.00 -0.00 -0.34 3.02 -1.26 -1.08 115.26 122.36 2piv n ASN 691 Ca 0.24 0.19 0.14 0.00 -0.03 0.00 0.00 54.58 55.13 2piv n ASN 691 Cb 0.49 -0.23 0.66 0.00 -0.61 0.00 0.00 39.78 40.09 2piv n ASN 691 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2piv n ASN 692 N -1.23 0.00 -4.87 6.41 5.15 -1.26 -4.78 115.26 114.68 2piv n ASN 692 Ca 0.01 0.31 -0.35 0.00 -0.60 0.00 0.00 54.58 53.95 2piv n ASN 692 Cb 0.01 -0.43 -0.06 0.00 -0.53 0.00 0.00 39.78 38.77 2piv n ASN 692 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2piv s GLN 693 N -2.87 3.39 0.58 1.20 -1.52 -0.24 -5.08 119.66 115.12 2piv s GLN 693 Ca 0.18 -0.25 -0.19 0.00 -1.95 0.00 0.00 55.36 53.15 2piv s GLN 693 Cb 0.19 -3.11 -0.05 0.00 -0.22 0.00 0.00 33.01 29.83 2piv s GLN 693 CO 0.51 0.72 1.06 -2.30 -0.25 0.00 0.00 175.29 175.03 2piv n PRO 694 N 1.51 1.07 -2.21 2.91 -0.02 -1.26 -4.83 135.00 132.15 2piv n PRO 694 Ca -0.16 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 2piv n PRO 694 Cb 0.54 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 2piv n PRO 694 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2piv s ASP 695 N -1.17 5.58 0.19 2.55 1.01 -1.26 -4.92 116.67 118.65 2piv s ASP 695 Ca 0.75 -0.72 0.06 0.00 0.71 0.00 0.00 52.55 53.35 2piv s ASP 695 Cb -0.42 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 40.91 2piv s ASP 695 CO 0.47 -2.31 0.09 -0.94 0.21 0.00 0.00 175.17 172.69 2piv s SER 696 N 6.97 5.20 0.13 0.27 1.04 -1.26 -4.95 113.70 121.10 2piv s SER 696 Ca 0.61 -0.28 -0.19 0.00 0.48 0.00 0.00 55.95 56.57 2piv s SER 696 Cb -0.06 -1.25 -0.01 0.00 0.10 0.00 0.00 66.02 64.80 2piv s SER 696 CO 0.01 0.05 1.72 0.15 0.98 0.00 0.00 173.24 176.15 2piv h PHE 697 N 2.31 -0.01 -0.30 5.02 3.57 -1.93 -0.18 116.94 125.43 2piv h PHE 697 Ca -0.47 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.07 2piv h PHE 697 Cb 1.21 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 2piv h PHE 697 CO 0.60 -0.03 0.13 0.00 -2.23 0.00 0.00 178.31 176.77 2piv h ALA 698 N 1.20 0.35 -0.37 2.41 0.00 -1.84 -1.35 119.26 119.65 2piv h ALA 698 Ca 0.11 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2piv h ALA 698 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2piv h ALA 698 CO -0.18 -0.27 -0.04 0.00 0.00 0.00 0.00 179.25 178.76 2piv h ALA 699 N 1.17 0.50 -0.08 0.00 0.00 -1.80 -1.48 119.26 117.59 2piv h ALA 699 Ca 0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2piv h ALA 699 Cb 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2piv h ALA 699 CO -0.11 0.31 0.03 -0.07 0.00 0.00 0.00 179.25 179.41 2piv h LEU 700 N 0.49 0.11 -0.80 0.00 3.38 -0.89 -2.21 115.31 115.39 2piv h LEU 700 Ca 0.10 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2piv h LEU 700 Cb 0.52 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2piv h LEU 700 CO 0.03 0.25 -0.50 -0.07 0.09 0.00 0.00 178.44 178.24 2piv h LEU 701 N -0.04 0.28 -0.63 1.67 -0.00 -1.29 -1.58 115.31 113.71 2piv h LEU 701 Ca 0.03 -0.14 -0.05 0.00 -0.00 0.00 0.00 57.88 57.72 2piv h LEU 701 Cb 0.17 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.73 2piv h LEU 701 CO -0.00 0.73 0.20 0.28 -0.00 0.00 0.00 178.44 179.66 2piv h SER 702 N 0.20 0.91 -0.23 -0.43 0.02 -1.21 -0.81 113.55 112.00 2piv h SER 702 Ca 0.01 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.63 2piv h SER 702 Cb 0.95 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2piv h SER 702 CO 0.08 0.87 -0.30 0.28 -1.14 0.00 0.00 176.83 176.63 2piv h SER 703 N 0.90 0.76 -0.45 3.07 0.02 -1.17 -1.37 113.55 115.31 2piv h SER 703 Ca 0.20 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 2piv h SER 703 Cb 0.28 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2piv h SER 703 CO -0.01 1.00 0.18 -0.07 -1.14 0.00 0.00 176.83 176.79 2piv h LEU 704 N 0.62 0.67 -0.20 5.07 3.38 -0.94 0.68 115.31 124.60 2piv h LEU 704 Ca 0.07 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2piv h LEU 704 Cb 0.81 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2piv h LEU 704 CO 0.07 0.63 -0.34 0.78 0.09 0.00 0.00 178.44 179.67 2piv h ASN 705 N 0.73 0.65 -0.76 -0.43 2.35 -0.84 -0.45 115.58 116.82 2piv h ASN 705 Ca 0.17 -0.53 -0.02 0.00 -0.55 0.00 0.00 56.30 55.37 2piv h ASN 705 Cb 0.18 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 2piv h ASN 705 CO -0.01 1.06 0.42 -0.08 -1.65 0.00 0.00 177.43 177.17 2piv h GLU 706 N 0.27 1.07 -0.53 0.81 4.57 -0.90 0.08 114.58 119.95 2piv h GLU 706 Ca 0.01 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 2piv h GLU 706 Cb 0.93 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 2piv h GLU 706 CO 0.08 0.79 0.08 1.25 -1.18 0.00 0.00 179.01 180.02 2piv h LEU 707 N 1.08 0.85 -0.85 1.64 5.85 -0.73 -1.68 115.31 121.46 2piv h LEU 707 Ca 0.27 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2piv h LEU 707 Cb 0.03 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 2piv h LEU 707 CO -0.04 0.90 0.51 1.23 -0.34 0.00 0.00 178.44 180.69 2piv h GLY 708 N 0.77 1.24 0.94 3.75 0.00 0.13 0.12 103.07 110.02 2piv h GLY 708 Ca 0.16 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 2piv h GLY 708 CO 0.01 0.51 0.04 -2.09 0.00 0.00 0.00 176.54 175.01 2piv h GLU 709 N 1.17 0.10 -0.23 4.80 4.57 -0.75 0.06 114.58 124.30 2piv h GLU 709 Ca 0.30 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2piv h GLU 709 Cb -0.03 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2piv h GLU 709 CO -0.06 0.13 0.13 0.00 -1.18 0.00 0.00 179.01 178.03 2piv h ARG 710 N 0.04 0.32 -0.26 1.92 3.08 -0.97 -2.47 114.38 116.03 2piv h ARG 710 Ca 0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2piv h ARG 710 Cb 0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2piv h ARG 710 CO -0.00 0.30 0.08 1.96 -1.07 0.00 0.00 179.97 181.24 2piv h GLN 711 N 0.26 0.37 -0.91 0.04 1.08 -0.65 -2.36 115.11 112.95 2piv h GLN 711 Ca 0.08 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2piv h GLN 711 Cb 0.07 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2piv h GLN 711 CO -0.01 0.33 0.55 1.25 -0.95 0.00 0.00 178.83 179.99 2piv h LEU 712 N 0.37 1.08 -0.58 1.46 5.85 -0.51 0.10 115.31 123.08 2piv h LEU 712 Ca 0.09 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2piv h LEU 712 Cb 0.11 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2piv h LEU 712 CO -0.01 0.83 0.38 0.58 -0.34 0.00 0.00 178.44 179.88 2piv h VAL 713 N 1.25 1.15 -0.45 1.05 2.07 -1.26 -0.88 116.25 119.18 2piv h VAL 713 Ca 0.33 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 2piv h VAL 713 Cb -0.06 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2piv h VAL 713 CO -0.06 0.15 -0.17 0.45 0.02 0.00 0.00 177.57 177.96 2piv h HIS 714 N 0.79 1.03 -0.59 1.57 3.86 -1.31 -2.64 115.15 117.86 2piv h HIS 714 Ca 0.21 -0.24 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2piv h HIS 714 Cb -0.08 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.11 2piv h HIS 714 CO -0.03 1.02 0.33 0.28 0.86 0.00 0.00 177.93 180.39 2piv h VAL 715 N 0.74 1.00 -0.16 2.45 2.07 -0.46 0.32 116.25 122.21 2piv h VAL 715 Ca 0.11 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2piv h VAL 715 Cb 0.73 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2piv h VAL 715 CO 0.06 0.12 0.03 0.58 0.02 0.00 0.00 177.57 178.38 2piv h VAL 716 N 0.64 0.93 -0.47 2.57 2.07 -1.03 0.18 116.25 121.14 2piv h VAL 716 Ca 0.25 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 2piv h VAL 716 Cb 0.11 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2piv h VAL 716 CO -0.14 0.02 0.13 0.11 0.02 0.00 0.00 177.57 177.71 2piv h LYS 717 N 0.10 0.75 -0.07 1.57 1.57 -1.09 -1.94 116.57 117.45 2piv h LYS 717 Ca 0.07 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2piv h LYS 717 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2piv h LYS 717 CO -0.09 0.72 -0.07 2.35 -0.57 0.00 0.00 179.45 181.79 2piv h TRP 718 N 0.63 -0.17 0.10 -1.35 7.01 -0.11 -2.51 115.95 119.56 2piv h TRP 718 Ca 0.15 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.16 2piv h TRP 718 Cb 0.29 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 2piv h TRP 718 CO 0.02 -0.11 -0.08 0.00 -2.79 0.00 0.00 178.44 175.48 2piv h ALA 719 N 0.97 -0.16 0.00 2.65 0.00 -0.49 -1.80 119.26 120.43 2piv h ALA 719 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2piv h ALA 719 Cb 0.16 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2piv h ALA 719 CO -0.13 -0.60 0.00 0.87 0.00 0.00 0.00 179.25 179.39 2piv h LYS 720 N -0.18 0.00 -0.02 0.00 1.57 -1.28 0.81 116.57 117.47 2piv h LYS 720 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2piv h LYS 720 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2piv h LYS 720 CO -0.01 0.00 -0.29 0.00 -0.57 0.00 0.00 179.45 178.58 2piv n ALA 721 N -1.79 3.15 -1.92 3.86 0.00 -0.71 -4.66 120.51 118.44 2piv n ALA 721 Ca -0.01 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.45 2piv n ALA 721 Cb 0.06 -0.91 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 2piv n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2piv s LEU 722 N -2.35 4.55 -0.13 0.00 1.43 0.28 -4.96 118.68 117.50 2piv s LEU 722 Ca 0.24 2.06 -0.37 0.00 -1.03 0.00 0.00 54.13 55.03 2piv s LEU 722 Cb 0.19 -3.61 -0.14 0.00 0.03 0.00 0.00 46.19 42.66 2piv s LEU 722 CO 0.49 -0.07 1.78 -2.65 0.23 0.00 0.00 176.35 176.12 2piv n PRO 723 N 1.86 1.72 -0.07 1.29 -0.02 -1.26 -1.74 135.00 136.78 2piv n PRO 723 Ca 0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2piv n PRO 723 Cb 0.46 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2piv n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2piv n GLY 724 N 4.14 2.77 0.17 -1.23 0.00 -1.26 -4.90 105.19 104.88 2piv n GLY 724 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 2piv n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2piv h PHE 725 N 0.00 0.31 0.00 1.61 3.57 -1.63 -0.04 116.94 120.77 2piv h PHE 725 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2piv h PHE 725 Cb 0.00 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2piv h PHE 725 CO 0.00 0.14 0.00 0.54 -2.23 0.00 0.00 178.31 176.76 2piv n ARG 726 N -4.97 0.12 0.26 1.11 1.74 -1.26 -1.31 116.66 112.34 2piv n ARG 726 Ca 0.02 0.57 0.15 0.00 -0.77 0.00 0.00 57.85 57.82 2piv n ARG 726 Cb 0.13 -1.85 0.60 0.00 -1.02 0.00 0.00 32.46 30.31 2piv n ARG 726 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 2piv h ASN 727 N 0.00 0.00 -4.17 0.55 -1.24 -1.38 -3.44 115.58 105.89 2piv h ASN 727 Ca 0.00 0.00 -0.48 0.00 0.71 0.00 0.00 56.30 56.53 2piv h ASN 727 Cb 0.06 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.14 2piv h ASN 727 CO 0.00 0.06 0.38 -0.76 -1.29 0.00 0.00 177.43 175.82 2piv s LEU 728 N -6.36 3.61 0.37 0.34 1.43 -0.43 -4.98 118.68 112.66 2piv s LEU 728 Ca 0.01 1.71 -0.28 0.00 -1.03 0.00 0.00 54.13 54.55 2piv s LEU 728 Cb 0.09 -4.53 -0.11 0.00 0.03 0.00 0.00 46.19 41.67 2piv s LEU 728 CO 0.57 -0.83 1.44 1.57 0.23 0.00 0.00 176.35 179.33 2piv n HIS 729 N -1.65 2.80 -0.33 0.29 -0.00 -1.26 -4.76 115.22 110.31 2piv n HIS 729 Ca 0.08 0.47 0.16 0.00 -0.00 0.00 0.00 57.72 58.43 2piv n HIS 729 Cb 0.53 -2.50 0.35 0.00 -0.00 0.00 0.00 29.99 28.38 2piv n HIS 729 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 2piv h VAL 730 N 2.85 0.53 -0.34 3.57 3.04 -1.93 0.13 116.25 124.09 2piv h VAL 730 Ca -0.49 -0.18 -0.11 0.00 -1.01 0.00 0.00 66.70 64.91 2piv h VAL 730 Cb 1.25 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.46 2piv h VAL 730 CO 0.64 0.10 -0.22 0.44 -1.01 0.00 0.00 177.57 177.52 2piv h ASP 731 N 0.54 0.67 0.85 3.17 3.32 -2.01 -2.62 116.42 120.34 2piv h ASP 731 Ca 0.61 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 57.36 2piv h ASP 731 Cb 1.14 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 2piv h ASP 731 CO -0.48 0.88 -0.35 0.44 -1.72 0.00 0.00 179.24 178.01 2piv h ASP 732 N 0.59 0.00 -0.29 6.45 3.32 -1.16 -1.90 116.42 123.42 2piv h ASP 732 Ca 0.09 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2piv h ASP 732 Cb 0.69 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 2piv h ASP 732 CO 0.05 0.35 0.02 1.56 -1.72 0.00 0.00 179.24 179.50 2piv h GLN 733 N 0.00 0.50 -0.10 3.56 4.20 -0.76 -1.70 115.11 120.82 2piv h GLN 733 Ca -0.00 -0.15 -0.16 0.00 0.06 0.00 0.00 58.65 58.40 2piv h GLN 733 Cb 0.87 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2piv h GLN 733 CO 0.05 0.63 -0.63 1.98 -0.67 0.00 0.00 178.83 180.19 2piv h MET 734 N 0.31 0.35 0.67 1.46 4.05 -1.42 -3.00 114.93 117.35 2piv h MET 734 Ca 0.09 -0.25 -0.03 0.00 -0.28 0.00 0.00 59.70 59.22 2piv h MET 734 Cb 0.39 0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2piv h MET 734 CO 0.01 0.87 -0.32 0.00 0.23 0.00 0.00 176.91 177.70 2piv h ALA 735 N 1.07 -0.89 -0.85 0.39 0.00 -1.20 -0.65 119.26 117.13 2piv h ALA 735 Ca -0.01 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2piv h ALA 735 Cb 1.16 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 2piv h ALA 735 CO 0.10 -0.96 0.55 -0.39 0.00 0.00 0.00 179.25 178.56 2piv h VAL 736 N -0.99 1.04 -0.25 0.00 -1.51 -1.39 -1.42 116.25 111.74 2piv h VAL 736 Ca -0.09 -0.32 -0.04 0.00 -1.23 0.00 0.00 66.70 65.02 2piv h VAL 736 Cb 0.71 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 2piv h VAL 736 CO 0.15 0.17 -0.01 0.40 -1.23 0.00 0.00 177.57 177.05 2piv h ILE 737 N 0.93 1.26 0.00 7.19 2.04 -1.45 -1.08 117.51 126.40 2piv h ILE 737 Ca 0.37 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2piv h ILE 737 Cb 0.24 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2piv h ILE 737 CO -0.13 0.29 0.00 1.56 0.00 0.00 0.00 178.15 179.87 2piv h GLN 738 N 0.23 0.00 0.01 2.37 4.20 -0.41 -2.00 115.11 119.51 2piv h GLN 738 Ca 0.07 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.42 2piv h GLN 738 Cb 0.44 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 2piv h GLN 738 CO 0.02 0.00 -2.26 0.66 -0.67 0.00 0.00 178.83 176.57 2piv n TYR 739 N -2.75 0.25 0.61 2.96 4.01 -0.60 -4.58 117.16 117.06 2piv n TYR 739 Ca 0.00 0.08 0.10 0.00 -0.16 0.00 0.00 57.90 57.92 2piv n TYR 739 Cb 0.22 -1.04 0.11 0.00 -0.31 0.00 0.00 39.34 38.32 2piv n TYR 739 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2piv n SER 740 N -2.94 2.76 -0.34 7.72 3.41 -0.42 -4.53 113.62 119.28 2piv n SER 740 Ca -0.33 -1.83 0.05 0.00 -0.26 0.00 0.00 58.87 56.51 2piv n SER 740 Cb 1.10 -0.07 0.24 0.00 -0.26 0.00 0.00 64.21 65.22 2piv n SER 740 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2piv h TRP 741 N 3.70 1.10 0.29 7.33 5.08 -1.58 -0.77 115.95 131.09 2piv h TRP 741 Ca 0.00 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.99 2piv h TRP 741 Cb 0.81 -0.36 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 2piv h TRP 741 CO 0.07 0.52 -0.14 1.98 -1.28 0.00 0.00 178.44 179.58 2piv h MET 742 N 1.03 -0.38 -0.72 0.12 4.05 -1.87 -0.70 114.93 116.46 2piv h MET 742 Ca 0.44 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.88 2piv h MET 742 Cb 0.33 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 2piv h MET 742 CO -0.20 -0.22 0.41 0.78 0.23 0.00 0.00 176.91 177.91 2piv h GLY 743 N -0.44 1.05 0.86 1.39 0.00 -1.76 -1.40 103.07 102.77 2piv h GLY 743 Ca -0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2piv h GLY 743 CO 0.07 0.43 0.05 1.41 0.00 0.00 0.00 176.54 178.50 2piv h LEU 744 N 1.00 0.32 -0.41 3.11 3.38 -0.95 -2.02 115.31 119.74 2piv h LEU 744 Ca 0.26 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2piv h LEU 744 Cb -0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2piv h LEU 744 CO -0.04 0.47 -0.14 0.24 0.09 0.00 0.00 178.44 179.06 2piv h MET 745 N 0.16 0.81 -0.67 1.13 2.86 -0.89 -1.83 114.93 116.51 2piv h MET 745 Ca 0.07 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 2piv h MET 745 Cb 0.27 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2piv h MET 745 CO 0.00 0.96 0.35 0.28 1.06 0.00 0.00 176.91 179.56 2piv h VAL 746 N 0.63 1.22 -0.25 -2.22 2.07 -1.26 0.14 116.25 116.58 2piv h VAL 746 Ca 0.10 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2piv h VAL 746 Cb 0.68 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2piv h VAL 746 CO 0.05 0.24 0.06 0.15 0.02 0.00 0.00 177.57 178.08 2piv h PHE 747 N 0.92 0.42 -0.76 1.57 3.57 -1.29 -0.34 116.94 121.03 2piv h PHE 747 Ca 0.23 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 2piv h PHE 747 Cb 0.07 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 2piv h PHE 747 CO -0.00 0.50 0.32 0.00 -2.23 0.00 0.00 178.31 176.89 2piv h ALA 748 N 0.88 0.99 -0.61 2.41 0.00 -1.10 -1.98 119.26 119.85 2piv h ALA 748 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2piv h ALA 748 Cb 0.29 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2piv h ALA 748 CO 0.00 0.60 0.29 1.98 0.00 0.00 0.00 179.25 182.13 2piv h MET 749 N 1.10 0.88 -0.85 0.00 1.85 -0.48 -0.77 114.93 116.66 2piv h MET 749 Ca 0.26 -0.13 0.03 0.00 -0.61 0.00 0.00 59.70 59.24 2piv h MET 749 Cb 0.19 -0.16 -0.05 0.00 0.43 0.00 0.00 31.60 32.01 2piv h MET 749 CO -0.02 0.71 0.55 0.78 -0.40 0.00 0.00 176.91 178.52 2piv h GLY 750 N 0.84 1.22 0.96 1.39 0.00 -0.61 0.26 103.07 107.14 2piv h GLY 750 Ca 0.21 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 2piv h GLY 750 CO -0.03 0.37 0.08 -0.25 0.00 0.00 0.00 176.54 176.72 2piv h TRP 751 N 1.08 0.80 -0.15 5.60 2.91 -0.90 -1.60 115.95 123.69 2piv h TRP 751 Ca 0.33 -0.11 0.01 0.00 1.13 0.00 0.00 58.89 60.25 2piv h TRP 751 Cb -0.02 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 28.40 2piv h TRP 751 CO -0.02 0.75 0.08 0.00 -1.03 0.00 0.00 178.44 178.22 2piv h ARG 752 N 0.62 0.17 -0.76 2.65 3.08 -0.54 -1.32 114.38 118.28 2piv h ARG 752 Ca 0.14 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.25 2piv h ARG 752 Cb 0.37 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 2piv h ARG 752 CO 0.01 0.11 0.43 0.77 -1.07 0.00 0.00 179.97 180.22 2piv h SER 753 N 0.18 0.64 -0.15 7.04 0.02 -0.83 0.47 113.55 120.92 2piv h SER 753 Ca 0.06 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2piv h SER 753 Cb 0.00 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2piv h SER 753 CO -0.04 0.40 0.05 0.15 -1.14 0.00 0.00 176.83 176.25 2piv h PHE 754 N 0.77 0.23 -0.12 3.45 3.57 -0.99 0.17 116.94 124.02 2piv h PHE 754 Ca 0.35 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.67 2piv h PHE 754 Cb 0.25 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2piv h PHE 754 CO -0.07 0.33 -0.58 1.15 -2.23 0.00 0.00 178.31 176.91 2piv h THR 755 N 0.07 1.35 0.00 4.41 2.02 -0.80 -2.13 112.91 117.83 2piv h THR 755 Ca 0.05 -1.89 -0.06 0.00 0.77 0.00 0.00 66.41 65.28 2piv h THR 755 Cb 0.20 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 2piv h THR 755 CO -0.00 0.57 -0.62 0.78 0.37 0.00 0.00 175.52 176.62 2piv h ASN 756 N 0.30 0.00 -0.28 4.18 2.35 -0.08 -3.41 115.58 118.63 2piv h ASN 756 Ca -0.00 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.48 2piv h ASN 756 Cb 1.10 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.41 2piv h ASN 756 CO 0.10 0.92 -0.06 1.33 -1.65 0.00 0.00 177.43 178.08 2piv n VAL 757 N -4.59 2.40 -4.09 2.81 0.24 -0.57 -4.96 118.33 109.58 2piv n VAL 757 Ca -0.13 -2.43 -0.33 0.00 -2.04 0.00 0.00 64.34 59.41 2piv n VAL 757 Cb 0.35 -0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 32.42 2piv n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2piv n ASN 758 N -0.95 -3.57 0.00 -1.34 5.15 -0.79 -0.61 115.26 113.14 2piv n ASN 758 Ca 0.28 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.33 2piv n ASN 758 Cb 0.95 -3.20 0.00 0.00 -0.53 0.00 0.00 39.78 37.00 2piv n ASN 758 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2piv n SER 759 N -2.75 -5.11 -0.07 1.20 7.64 0.47 -4.83 113.62 110.17 2piv n SER 759 Ca 0.03 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.88 2piv n SER 759 Cb 0.52 -2.99 0.21 0.00 -1.01 0.00 0.00 64.21 60.94 2piv n SER 759 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2piv h ARG 760 N 0.17 0.70 -4.65 1.43 3.08 -1.09 -3.45 114.38 110.56 2piv h ARG 760 Ca 0.00 -0.18 -0.26 0.00 0.07 0.00 0.00 59.98 59.61 2piv h ARG 760 Cb 0.78 -0.09 -0.15 0.00 0.08 0.00 0.00 29.97 30.60 2piv h ARG 760 CO 0.00 0.71 -0.63 -1.64 -1.07 0.00 0.00 179.97 177.35 2piv s MET 761 N -4.97 1.19 -0.43 0.04 -1.94 -1.26 -4.98 119.30 106.95 2piv s MET 761 Ca -0.09 -1.62 -0.23 0.00 -1.71 0.00 0.00 55.69 52.05 2piv s MET 761 Cb 0.15 0.08 0.02 0.00 2.01 0.00 0.00 34.83 37.09 2piv s MET 761 CO 0.79 -0.32 0.78 -0.51 -0.01 0.00 0.00 175.02 175.76 2piv s LEU 762 N -3.18 4.22 -1.25 -0.03 1.43 -1.03 -4.76 118.68 114.08 2piv s LEU 762 Ca 0.34 -0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.35 2piv s LEU 762 Cb 0.07 -2.98 0.18 0.00 0.03 0.00 0.00 46.19 43.50 2piv s LEU 762 CO 0.10 -0.87 1.77 0.00 0.23 0.00 0.00 176.35 177.57 2piv n TYR 763 N 6.64 3.26 -0.16 0.29 4.19 -1.26 -1.17 117.16 128.95 2piv n TYR 763 Ca 0.02 -2.88 -0.07 0.00 3.31 0.00 0.00 57.90 58.28 2piv n TYR 763 Cb 0.48 -1.94 0.02 0.00 0.49 0.00 0.00 39.34 38.39 2piv n TYR 763 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 2piv h PHE 764 N 5.97 0.61 -2.76 2.98 0.04 -1.86 -3.41 116.94 118.50 2piv h PHE 764 Ca 0.37 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.13 2piv h PHE 764 Cb 0.67 -0.21 -0.14 0.00 2.20 0.00 0.00 35.95 38.48 2piv h PHE 764 CO 1.20 0.39 0.22 0.00 -0.60 0.00 0.00 178.31 179.52 2piv s ALA 765 N -6.15 -1.65 0.51 2.45 0.00 -1.09 -4.97 121.76 110.85 2piv s ALA 765 Ca -0.13 0.68 0.25 0.00 0.00 0.00 0.00 51.96 52.77 2piv s ALA 765 Cb 0.12 0.68 1.34 0.00 0.00 0.00 0.00 23.12 25.26 2piv s ALA 765 CO 0.74 -0.68 1.94 -1.35 0.00 0.00 0.00 175.76 176.40 2piv h PRO 766 N 2.20 0.10 -0.56 0.00 0.11 -1.88 0.18 132.00 132.15 2piv h PRO 766 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2piv h PRO 766 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2piv h PRO 766 CO 0.38 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 177.83 2piv n ASP 767 N -4.37 3.83 -3.05 -2.05 5.75 -1.26 -4.65 116.55 110.74 2piv n ASP 767 Ca 0.14 -2.18 -0.18 0.00 -0.01 0.00 0.00 54.79 52.55 2piv n ASP 767 Cb 0.71 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 40.34 2piv n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2piv n LEU 768 N 1.00 -1.03 -4.63 -2.12 7.94 0.61 -4.56 117.00 114.21 2piv n LEU 768 Ca 0.20 -4.15 -0.36 0.00 -1.11 0.00 0.00 56.01 50.60 2piv n LEU 768 Cb 0.65 0.70 -0.10 0.00 0.53 0.00 0.00 43.42 45.20 2piv n LEU 768 CO 0.16 2.02 -0.19 -0.69 -1.11 0.00 0.00 177.39 177.58 2piv s VAL 769 N -0.39 5.20 -0.21 1.96 1.01 -1.21 -2.67 120.40 124.08 2piv s VAL 769 Ca 0.34 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 2piv s VAL 769 Cb 0.17 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 2piv s VAL 769 CO -0.16 0.35 0.55 -0.36 0.00 0.00 0.00 175.10 175.48 2piv s PHE 770 N 1.07 3.36 0.39 5.22 0.40 -0.32 -4.97 117.98 123.13 2piv s PHE 770 Ca 0.07 0.80 0.05 0.00 -0.60 0.00 0.00 56.93 57.25 2piv s PHE 770 Cb -0.14 -2.71 0.05 0.00 0.51 0.00 0.00 43.02 40.73 2piv s PHE 770 CO 0.04 -0.14 0.43 0.27 0.70 0.00 0.00 175.22 176.52 2piv n ASN 771 N 4.95 1.80 -0.07 1.36 0.23 -1.26 -2.47 115.26 119.81 2piv n ASN 771 Ca -0.04 -2.17 -0.07 0.00 -0.53 0.00 0.00 54.58 51.77 2piv n ASN 771 Cb 0.50 -0.17 -0.01 0.00 -2.08 0.00 0.00 39.78 38.02 2piv n ASN 771 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2piv h GLU 772 N 0.00 -0.14 -0.34 -3.83 4.39 -1.97 -0.58 114.58 112.10 2piv h GLU 772 Ca -0.21 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.56 2piv h GLU 772 Cb 0.87 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.49 2piv h GLU 772 CO 0.32 -0.10 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.11 2piv h TYR 773 N -0.15 -0.09 -0.32 4.33 3.20 -2.00 -1.76 116.97 120.18 2piv h TYR 773 Ca 0.15 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 2piv h TYR 773 Cb 0.38 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2piv h TYR 773 CO -0.36 -0.10 -0.06 0.00 -1.64 0.00 0.00 178.16 176.00 2piv h ARG 774 N 0.05 0.52 -0.81 1.82 3.08 -1.82 -0.57 114.38 116.65 2piv h ARG 774 Ca 0.16 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.10 2piv h ARG 774 Cb 0.24 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 2piv h ARG 774 CO -0.31 0.59 0.53 0.52 -1.07 0.00 0.00 179.97 180.23 2piv h MET 775 N 0.49 1.03 -0.03 0.04 2.86 -0.27 0.21 114.93 119.27 2piv h MET 775 Ca 0.10 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2piv h MET 775 Cb 0.42 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2piv h MET 775 CO 0.02 0.68 -0.02 1.25 1.06 0.00 0.00 176.91 179.90 2piv h HIS 776 N 1.06 0.07 -0.40 -0.22 -0.00 -0.94 -2.99 115.15 111.73 2piv h HIS 776 Ca 0.31 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.70 2piv h HIS 776 Cb -0.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 2piv h HIS 776 CO -0.02 0.50 0.27 0.87 -0.00 0.00 0.00 177.93 179.54 2piv h LYS 777 N -0.38 0.37 0.00 5.26 6.56 -0.82 -0.88 116.57 126.68 2piv h LYS 777 Ca 0.01 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2piv h LYS 777 Cb 0.48 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 2piv h LYS 777 CO 0.01 0.24 0.00 -1.13 -2.06 0.00 0.00 179.45 176.51 2piv n SER 778 N -4.48 0.00 -1.90 0.86 3.41 0.71 -4.14 113.62 108.08 2piv n SER 778 Ca 0.04 0.48 -0.19 0.00 -0.26 0.00 0.00 58.87 58.95 2piv n SER 778 Cb 0.19 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 2piv n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2piv n ARG 779 N -1.49 -1.43 -2.71 4.33 1.74 -0.34 -4.85 116.66 111.91 2piv n ARG 779 Ca 0.03 0.98 -0.06 0.00 -0.77 0.00 0.00 57.85 58.03 2piv n ARG 779 Cb 0.15 -5.44 0.07 0.00 -1.02 0.00 0.00 32.46 26.21 2piv n ARG 779 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2piv n MET 780 N -2.68 1.31 -0.11 5.56 0.00 -1.24 -4.97 117.12 114.99 2piv n MET 780 Ca -0.21 -2.73 -0.07 0.00 0.00 0.00 0.00 57.70 54.68 2piv n MET 780 Cb 0.65 -0.84 0.01 0.00 0.00 0.00 0.00 33.22 33.03 2piv n MET 780 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2piv h TYR 781 N 2.45 0.35 -0.45 3.17 5.03 -1.82 -1.51 116.97 124.19 2piv h TYR 781 Ca -0.19 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.17 2piv h TYR 781 Cb 1.24 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 39.38 2piv h TYR 781 CO 0.35 0.19 0.24 0.66 -1.32 0.00 0.00 178.16 178.27 2piv h SER 782 N 0.38 0.35 -0.82 -2.11 4.64 -1.93 -0.11 113.55 113.96 2piv h SER 782 Ca 0.15 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2piv h SER 782 Cb 0.04 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 2piv h SER 782 CO -0.09 0.25 0.52 1.56 -0.87 0.00 0.00 176.83 178.19 2piv h GLN 783 N 0.47 1.09 -0.48 4.77 7.50 -1.90 -1.81 115.11 124.76 2piv h GLN 783 Ca 0.19 -0.08 -0.04 0.00 0.50 0.00 0.00 58.65 59.21 2piv h GLN 783 Cb 0.08 -0.24 -0.02 0.00 0.05 0.00 0.00 27.48 27.35 2piv h GLN 783 CO -0.12 0.75 0.12 0.00 -1.50 0.00 0.00 178.83 178.07 2piv h VAL 785 N 0.70 1.19 -0.51 0.00 2.07 -0.24 -0.14 116.25 119.32 2piv h VAL 785 Ca 0.16 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 2piv h VAL 785 Cb 0.26 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2piv h VAL 785 CO -0.00 0.22 0.09 0.03 0.02 0.00 0.00 177.57 177.92 2piv h ARG 786 N 0.69 0.80 -0.19 1.57 3.08 -0.84 -1.08 114.38 118.42 2piv h ARG 786 Ca 0.18 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2piv h ARG 786 Cb 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2piv h ARG 786 CO -0.02 0.75 -0.40 0.52 -1.07 0.00 0.00 179.97 179.74 2piv h MET 787 N 0.77 0.42 -0.36 0.04 2.86 -0.87 -1.66 114.93 116.13 2piv h MET 787 Ca 0.16 -0.21 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 2piv h MET 787 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2piv h MET 787 CO 0.00 0.76 -0.31 -0.09 1.06 0.00 0.00 176.91 178.34 2piv h ARG 788 N 0.35 0.79 -0.39 1.72 2.43 -0.57 -0.21 114.38 118.50 2piv h ARG 788 Ca 0.03 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 2piv h ARG 788 Cb 0.86 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2piv h ARG 788 CO 0.07 0.99 0.19 0.45 -1.51 0.00 0.00 179.97 180.15 2piv h HIS 789 N 0.67 0.57 -0.76 2.20 3.86 -0.94 0.45 115.15 121.20 2piv h HIS 789 Ca 0.07 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2piv h HIS 789 Cb 0.84 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 29.09 2piv h HIS 789 CO 0.05 0.48 0.48 1.25 0.86 0.00 0.00 177.93 181.04 2piv h LEU 790 N 0.49 0.78 -0.65 2.43 5.85 -1.10 -0.30 115.31 122.81 2piv h LEU 790 Ca 0.13 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2piv h LEU 790 Cb 0.12 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2piv h LEU 790 CO -0.02 0.54 0.43 -1.28 -0.34 0.00 0.00 178.44 177.77 2piv h SER 791 N 0.93 0.74 0.16 1.25 0.87 -0.42 -2.24 113.55 114.84 2piv h SER 791 Ca 0.31 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.77 2piv h SER 791 Cb 0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2piv h SER 791 CO -0.12 0.54 -0.30 1.56 -0.53 0.00 0.00 176.83 177.98 2piv h GLN 792 N 0.88 0.22 -0.80 2.24 4.20 -0.17 -2.78 115.11 118.89 2piv h GLN 792 Ca 0.24 -0.08 0.14 0.00 0.06 0.00 0.00 58.65 59.01 2piv h GLN 792 Cb -0.10 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.61 2piv h GLN 792 CO -0.05 0.50 0.52 0.93 -0.67 0.00 0.00 178.83 180.06 2piv h GLU 793 N 0.19 0.52 -0.77 1.46 4.39 -0.44 0.13 114.58 120.07 2piv h GLU 793 Ca 0.03 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2piv h GLU 793 Cb 0.63 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 2piv h GLU 793 CO 0.05 0.35 0.50 0.74 -1.16 0.00 0.00 179.01 179.49 2piv h PHE 794 N 0.54 0.86 0.02 4.33 0.04 -1.49 0.01 116.94 121.24 2piv h PHE 794 Ca 0.39 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.16 2piv h PHE 794 Cb 0.75 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2piv h PHE 794 CO -0.00 0.47 -0.10 0.78 -0.60 0.00 0.00 178.31 178.86 2piv h GLY 795 N 0.86 0.05 0.59 -1.45 0.00 -0.94 -0.07 103.07 102.11 2piv h GLY 795 Ca 0.32 -0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.64 2piv h GLY 795 CO -0.11 0.10 0.63 1.49 0.00 0.00 0.00 176.54 178.65 2piv h TRP 796 N -0.88 1.13 -0.01 5.60 6.55 -0.98 -0.20 115.95 127.17 2piv h TRP 796 Ca -0.02 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.85 2piv h TRP 796 Cb 1.04 -0.36 0.00 0.00 -0.86 0.00 0.00 29.16 28.98 2piv h TRP 796 CO 0.26 0.50 -0.11 1.28 -1.05 0.00 0.00 178.44 179.31 2piv n LEU 797 N -4.57 1.39 -3.78 -4.49 4.77 -0.03 -4.96 117.00 105.33 2piv n LEU 797 Ca 0.17 -0.43 -0.24 0.00 -0.03 0.00 0.00 56.01 55.48 2piv n LEU 797 Cb 0.30 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2piv n LEU 797 CO 0.29 0.24 -0.13 0.00 -1.33 0.00 0.00 177.39 176.47 2piv n GLN 798 N -0.11 -3.67 -1.91 3.23 6.02 -0.09 -4.87 117.38 115.98 2piv n GLN 798 Ca 0.16 0.52 -0.42 0.00 -0.01 0.00 0.00 57.00 57.25 2piv n GLN 798 Cb 0.37 -4.79 -0.03 0.00 1.02 0.00 0.00 30.24 26.81 2piv n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2piv s ILE 799 N -3.74 2.50 0.44 5.09 -1.09 -0.10 -5.00 121.20 119.31 2piv s ILE 799 Ca 0.08 0.38 -0.08 0.00 -2.23 0.00 0.00 60.65 58.80 2piv s ILE 799 Cb -0.03 -3.24 -0.05 0.00 -1.58 0.00 0.00 42.46 37.56 2piv s ILE 799 CO 0.85 0.04 0.78 0.42 -1.23 0.00 0.00 174.94 175.80 2piv s THR 800 N 0.74 4.84 0.31 2.92 -4.23 -1.26 -4.90 115.64 114.06 2piv s THR 800 Ca 0.67 0.44 0.05 0.00 -1.18 0.00 0.00 61.69 61.67 2piv s THR 800 Cb -0.44 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 69.90 2piv s THR 800 CO 0.36 -0.68 1.83 -0.65 -0.54 0.00 0.00 174.62 174.94 2piv h PRO 801 N 0.77 0.81 -0.43 3.99 0.11 -1.99 0.38 132.00 135.64 2piv h PRO 801 Ca -0.47 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 2piv h PRO 801 Cb 1.19 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2piv h PRO 801 CO 0.63 0.54 -0.28 1.96 -0.21 0.00 0.00 178.00 180.64 2piv h GLN 802 N 0.84 0.92 -0.50 1.05 7.50 -2.00 -2.14 115.11 120.78 2piv h GLN 802 Ca 0.51 -0.42 -0.07 0.00 0.50 0.00 0.00 58.65 59.18 2piv h GLN 802 Cb 0.70 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.19 2piv h GLN 802 CO -0.28 1.08 0.05 0.93 -1.50 0.00 0.00 178.83 179.10 2piv h GLU 803 N 0.78 0.84 -0.03 1.46 5.08 -1.60 -2.42 114.58 118.69 2piv h GLU 803 Ca 0.09 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2piv h GLU 803 Cb 0.85 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2piv h GLU 803 CO 0.07 0.86 -0.06 0.35 -1.00 0.00 0.00 179.01 179.23 2piv h PHE 804 N 0.71 -0.14 -0.22 4.33 3.57 -0.87 -0.72 116.94 123.61 2piv h PHE 804 Ca 0.15 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.69 2piv h PHE 804 Cb 0.44 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 2piv h PHE 804 CO 0.03 -0.09 0.02 -0.07 -2.23 0.00 0.00 178.31 175.97 2piv h LEU 805 N -0.09 -0.04 -0.71 0.59 3.38 -1.32 -0.27 115.31 116.85 2piv h LEU 805 Ca 0.03 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2piv h LEU 805 Cb 0.13 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2piv h LEU 805 CO -0.08 0.01 0.16 0.00 0.09 0.00 0.00 178.44 178.62 2piv h MET 807 N 1.08 0.99 -0.49 0.00 2.86 -0.86 -2.22 114.93 116.29 2piv h MET 807 Ca 0.22 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 2piv h MET 807 Cb 0.39 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2piv h MET 807 CO 0.01 0.96 0.02 -0.22 1.06 0.00 0.00 176.91 178.74 2piv h LYS 808 N 0.88 0.80 -0.49 1.72 3.64 -0.79 -2.14 116.57 120.18 2piv h LYS 808 Ca 0.17 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2piv h LYS 808 Cb 0.49 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2piv h LYS 808 CO 0.02 0.79 0.11 0.00 -2.27 0.00 0.00 179.45 178.11 2piv h ALA 809 N 1.27 0.65 0.00 5.00 0.00 -1.15 -2.52 119.26 122.50 2piv h ALA 809 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2piv h ALA 809 Cb 0.43 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2piv h ALA 809 CO 0.02 0.35 -0.11 1.25 0.00 0.00 0.00 179.25 180.75 2piv h LEU 810 N 0.68 0.00 -1.79 0.00 5.85 -1.04 -1.12 115.31 117.90 2piv h LEU 810 Ca 0.15 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2piv h LEU 810 Cb 0.34 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2piv h LEU 810 CO 0.00 0.11 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.00 2piv h LEU 811 N 0.00 0.00 -1.63 2.25 3.38 -0.94 -0.99 115.31 117.38 2piv h LEU 811 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2piv h LEU 811 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2piv h LEU 811 CO 0.01 0.15 -0.13 0.25 0.09 0.00 0.00 178.44 178.82 2piv h LEU 812 N 0.00 0.00 -3.78 1.67 5.85 -1.18 -3.07 115.31 114.81 2piv h LEU 812 Ca -0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.16 2piv h LEU 812 Cb 0.39 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.03 2piv h LEU 812 CO 0.02 0.13 -0.42 0.49 -0.34 0.00 0.00 178.44 178.31 2piv n PHE 813 N -3.41 2.74 -0.47 1.25 3.72 -0.39 -4.66 117.46 116.26 2piv n PHE 813 Ca -0.01 -2.36 0.04 0.00 -0.05 0.00 0.00 57.45 55.07 2piv n PHE 813 Cb 0.31 -0.58 0.06 0.00 -0.94 0.00 0.00 39.48 38.32 2piv n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2piv n SER 814 N -0.78 2.10 -3.52 4.37 7.64 -1.16 -4.92 113.62 117.35 2piv n SER 814 Ca 0.47 -2.43 -0.03 0.00 1.01 0.00 0.00 58.87 57.88 2piv n SER 814 Cb 0.90 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.87 2piv n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2piv s ILE 815 N -1.75 -0.85 0.09 0.44 2.07 -1.26 0.14 121.20 120.08 2piv s ILE 815 Ca 0.13 0.04 -0.05 0.00 -1.41 0.00 0.00 60.65 59.37 2piv s ILE 815 Cb 0.11 -0.88 -0.02 0.00 0.13 0.00 0.00 42.46 41.81 2piv s ILE 815 CO 0.01 0.01 0.10 0.27 -1.91 0.00 0.00 174.94 173.42 2piv s ILE 816 N 2.76 0.16 0.60 2.00 -4.36 -0.99 -4.77 121.20 116.60 2piv s ILE 816 Ca 0.03 -1.55 -0.19 0.00 -0.26 0.00 0.00 60.65 58.68 2piv s ILE 816 Cb -0.13 -1.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.98 2piv s ILE 816 CO -0.17 -0.71 1.22 -2.16 0.24 0.00 0.00 174.94 173.35 2piv s PRO 817 N -3.92 2.91 0.44 0.37 0.04 -1.26 -2.08 135.00 131.49 2piv s PRO 817 Ca 0.10 1.86 0.10 0.00 0.04 0.00 0.00 61.00 63.10 2piv s PRO 817 Cb 0.06 -1.92 0.97 0.00 0.04 0.00 0.00 34.50 33.66 2piv s PRO 817 CO -0.07 -1.26 2.06 0.28 0.04 0.00 0.00 177.00 178.04 2piv h VAL 818 N 0.83 1.05 -0.16 -0.36 2.07 -1.26 -1.24 116.25 117.18 2piv h VAL 818 Ca -0.51 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2piv h VAL 818 Cb 1.30 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2piv h VAL 818 CO 0.55 0.08 0.00 0.47 0.02 0.00 0.00 177.57 178.68 2piv n ASP 819 N -4.48 1.58 -0.53 0.57 8.00 -1.26 -5.02 116.55 115.41 2piv n ASP 819 Ca 0.03 -2.12 0.07 0.00 0.71 0.00 0.00 54.79 53.49 2piv n ASP 819 Cb 0.13 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 2piv n ASP 819 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2piv n GLY 820 N 0.48 -2.12 4.00 0.44 0.00 -0.47 -4.98 105.19 102.53 2piv n GLY 820 Ca 0.07 -1.36 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 2piv n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2piv s LEU 821 N -5.59 3.03 0.36 0.99 1.43 -1.26 -4.70 118.68 112.94 2piv s LEU 821 Ca 0.00 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 2piv s LEU 821 Cb 0.00 -2.03 0.77 0.00 0.03 0.00 0.00 46.19 44.96 2piv s LEU 821 CO 0.00 -1.71 1.93 0.50 0.23 0.00 0.00 176.35 177.30 2piv h LYS 822 N -0.36 0.71 -2.28 1.70 1.63 -1.96 -3.26 116.57 112.75 2piv h LYS 822 Ca -0.36 -0.04 -0.58 0.00 -0.85 0.00 0.00 60.65 58.81 2piv h LYS 822 Cb 1.27 -0.16 -0.38 0.00 -0.60 0.00 0.00 32.23 32.36 2piv h LYS 822 CO 0.42 0.47 -1.00 -1.71 -3.45 0.00 0.00 179.45 174.18 2piv n ASN 823 N -4.50 -0.13 -0.02 4.20 2.85 -1.26 -4.97 115.26 111.42 2piv n ASN 823 Ca 0.13 -2.51 0.06 0.00 -0.11 0.00 0.00 54.58 52.16 2piv n ASN 823 Cb 0.32 -0.58 0.45 0.00 1.24 0.00 0.00 39.78 41.20 2piv n ASN 823 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2piv h GLN 824 N 5.13 0.48 0.12 1.20 1.08 -1.95 -2.93 115.11 118.24 2piv h GLN 824 Ca 0.21 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 2piv h GLN 824 Cb 0.89 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.17 2piv h GLN 824 CO 0.41 0.32 -0.46 0.87 -0.95 0.00 0.00 178.83 179.03 2piv h LYS 825 N 0.50 -0.64 -0.99 1.46 6.56 -1.93 0.20 116.57 121.73 2piv h LYS 825 Ca 0.18 0.04 0.06 0.00 -1.06 0.00 0.00 60.65 59.88 2piv h LYS 825 Cb 0.11 0.15 -0.06 0.00 -0.57 0.00 0.00 32.23 31.86 2piv h LYS 825 CO -0.05 -0.43 0.64 0.74 -2.06 0.00 0.00 179.45 178.30 2piv h PHE 826 N -0.66 1.19 -0.33 -1.35 0.04 -1.94 -1.39 116.94 112.50 2piv h PHE 826 Ca -0.01 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2piv h PHE 826 Cb 0.66 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2piv h PHE 826 CO -0.43 0.63 0.09 0.35 -0.60 0.00 0.00 178.31 178.35 2piv h PHE 827 N 1.18 0.55 -0.73 -0.55 3.04 -1.26 -0.29 116.94 118.87 2piv h PHE 827 Ca 0.42 -0.06 -0.02 0.00 3.98 0.00 0.00 57.97 62.29 2piv h PHE 827 Cb 0.13 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.45 2piv h PHE 827 CO -0.00 0.56 0.38 -0.44 -2.02 0.00 0.00 178.31 176.78 2piv h ASP 828 N 0.38 0.93 -0.27 0.41 3.32 -0.14 0.87 116.42 121.92 2piv h ASP 828 Ca 0.10 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 2piv h ASP 828 Cb 0.28 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2piv h ASP 828 CO -0.00 0.77 -0.09 -0.08 -1.72 0.00 0.00 179.24 178.11 2piv h GLU 829 N 1.03 0.54 -0.43 3.56 4.81 -1.07 -2.03 114.58 120.99 2piv h GLU 829 Ca 0.26 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2piv h GLU 829 Cb 0.07 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2piv h GLU 829 CO -0.04 0.77 0.14 1.25 -0.73 0.00 0.00 179.01 180.40 2piv h LEU 830 N 0.28 0.62 -0.59 1.64 5.85 -0.69 -1.51 115.31 120.91 2piv h LEU 830 Ca 0.06 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2piv h LEU 830 Cb 0.59 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2piv h LEU 830 CO 0.03 0.66 0.38 -0.09 -0.34 0.00 0.00 178.44 179.07 2piv h ARG 831 N 0.55 0.79 -0.48 1.25 2.43 -0.83 -1.80 114.38 116.29 2piv h ARG 831 Ca 0.14 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2piv h ARG 831 Cb 0.25 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2piv h ARG 831 CO -0.01 0.54 0.27 1.98 -1.51 0.00 0.00 179.97 181.25 2piv h MET 832 N 0.80 0.52 -0.41 0.20 4.05 -1.14 -0.77 114.93 118.19 2piv h MET 832 Ca 0.21 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 2piv h MET 832 Cb -0.06 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 2piv h MET 832 CO -0.04 0.35 0.20 -0.91 0.23 0.00 0.00 176.91 176.73 2piv h ASN 833 N 0.54 0.50 0.69 1.39 2.35 -0.72 -0.52 115.58 119.80 2piv h ASN 833 Ca 0.20 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.74 2piv h ASN 833 Cb 0.05 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2piv h ASN 833 CO -0.11 0.43 -0.79 1.88 -1.65 0.00 0.00 177.43 177.19 2piv h TYR 834 N 0.57 0.11 -0.19 1.19 -1.99 -0.76 -1.64 116.97 114.26 2piv h TYR 834 Ca 0.14 -0.06 -0.13 0.00 2.00 0.00 0.00 58.73 60.69 2piv h TYR 834 Cb 0.06 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 2piv h TYR 834 CO 0.00 0.83 -0.43 0.82 -0.00 0.00 0.00 178.16 179.38 2piv h ILE 835 N 0.04 1.31 -0.40 -2.88 2.04 -0.36 -2.36 117.51 114.90 2piv h ILE 835 Ca -0.02 -1.61 -0.16 0.00 1.00 0.00 0.00 64.86 64.07 2piv h ILE 835 Cb 1.39 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 2piv h ILE 835 CO 0.11 0.50 -0.36 0.11 0.00 0.00 0.00 178.15 178.51 2piv h LYS 836 N 0.37 0.95 -0.81 2.37 1.57 -0.94 -2.70 116.57 117.38 2piv h LYS 836 Ca 0.03 -0.48 0.01 0.00 -1.87 0.00 0.00 60.65 58.33 2piv h LYS 836 Cb 0.92 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 2piv h LYS 836 CO 0.08 1.14 0.53 0.93 -0.57 0.00 0.00 179.45 181.56 2piv h GLU 837 N 0.78 1.07 -0.64 3.15 4.39 -1.12 -0.99 114.58 121.22 2piv h GLU 837 Ca 0.07 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2piv h GLU 837 Cb 0.95 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 2piv h GLU 837 CO 0.09 0.72 0.27 1.25 -1.16 0.00 0.00 179.01 180.18 2piv h LEU 838 N 1.10 0.85 -0.12 1.33 5.85 -1.22 -2.16 115.31 120.94 2piv h LEU 838 Ca 0.30 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2piv h LEU 838 Cb -0.11 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 2piv h LEU 838 CO -0.06 0.75 0.05 0.44 -0.34 0.00 0.00 178.44 179.28 2piv h ASP 839 N 0.92 0.16 -0.68 1.25 3.32 -0.89 -2.08 116.42 118.42 2piv h ASP 839 Ca 0.22 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.19 2piv h ASP 839 Cb 0.15 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 2piv h ASP 839 CO -0.02 0.25 0.39 0.03 -1.72 0.00 0.00 179.24 178.17 2piv h ARG 840 N 0.05 0.69 -0.51 3.56 3.08 -1.08 0.38 114.38 120.56 2piv h ARG 840 Ca 0.04 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2piv h ARG 840 Cb 0.14 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2piv h ARG 840 CO -0.00 0.46 0.34 0.82 -1.07 0.00 0.00 179.97 180.51 2piv h ILE 841 N 0.71 1.11 0.08 2.04 2.04 -1.17 0.17 117.51 122.50 2piv h ILE 841 Ca 0.30 -0.23 -0.29 0.00 1.00 0.00 0.00 64.86 65.65 2piv h ILE 841 Cb 0.18 0.39 0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2piv h ILE 841 CO -0.18 0.12 -1.17 0.40 0.00 0.00 0.00 178.15 177.32 2piv h ILE 842 N 0.66 1.28 -0.00 -0.67 2.04 -0.42 -3.24 117.51 117.16 2piv h ILE 842 Ca 0.19 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.67 2piv h ILE 842 Cb -0.03 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2piv h ILE 842 CO -0.04 0.73 -0.00 0.00 0.00 0.00 0.00 178.15 178.83 2piv n ALA 843 N -2.67 2.67 -0.76 1.87 0.00 0.12 -2.89 120.51 118.84 2piv n ALA 843 Ca -0.13 -0.23 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 2piv n ALA 843 Cb 0.95 -1.47 0.18 0.00 0.00 0.00 0.00 19.45 19.11 2piv n ALA 843 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2piv n LYS 845 N -0.57 0.00 -2.06 0.00 3.00 -1.25 -5.05 118.16 112.23 2piv n LYS 845 Ca 0.44 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.47 2piv n LYS 845 Cb 1.37 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 36.35 2piv n LYS 845 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2piv s ARG 846 N -0.11 2.54 0.23 1.64 3.00 -1.14 -4.71 118.95 120.40 2piv s ARG 846 Ca 0.00 -0.75 0.08 0.00 0.00 0.00 0.00 55.73 55.06 2piv s ARG 846 Cb 0.00 -5.16 0.22 0.00 0.00 0.00 0.00 34.95 30.01 2piv s ARG 846 CO 0.00 -3.68 1.53 -0.22 0.00 0.00 0.00 175.30 172.93 2piv h LYS 847 N 10.47 0.07 -6.49 3.54 1.63 -1.92 -3.44 116.57 120.42 2piv h LYS 847 Ca 0.16 -0.06 -0.53 0.00 -0.85 0.00 0.00 60.65 59.37 2piv h LYS 847 Cb 0.97 0.01 0.02 0.00 -0.60 0.00 0.00 32.23 32.63 2piv h LYS 847 CO 1.22 0.74 0.81 1.21 -3.45 0.00 0.00 179.45 179.98 2piv s ASN 848 N -6.85 6.78 0.55 4.20 3.84 -1.26 -4.92 114.94 117.28 2piv s ASN 848 Ca -0.02 2.32 0.33 0.00 0.21 0.00 0.00 52.86 55.71 2piv s ASN 848 Cb 0.12 -2.58 1.39 0.00 -0.55 0.00 0.00 41.25 39.63 2piv s ASN 848 CO 0.78 -0.72 1.99 1.55 -2.79 0.00 0.00 177.10 177.92 2piv h PRO 849 N 7.31 0.00 -0.82 0.43 0.13 -2.03 -3.16 132.00 133.86 2piv h PRO 849 Ca -0.41 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.15 2piv h PRO 849 Cb 1.20 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.98 2piv h PRO 849 CO 0.89 0.02 -0.10 2.41 -0.23 0.00 0.00 178.00 180.99 2piv n THR 850 N -3.12 2.96 0.00 1.56 -1.04 -1.26 -4.50 114.28 108.88 2piv n THR 850 Ca 0.00 -3.59 0.00 0.00 -2.04 0.00 0.00 64.05 58.42 2piv n THR 850 Cb 0.30 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 2piv n THR 850 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2piv n SER 851 N -0.83 0.00 0.19 8.00 3.41 -1.20 -4.78 113.62 118.42 2piv n SER 851 Ca 0.51 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.00 2piv n SER 851 Cb 0.86 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.75 2piv n SER 851 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2piv h SER 853 N -0.66 1.09 -0.58 0.00 4.64 -1.92 -1.52 113.55 114.60 2piv h SER 853 Ca -0.04 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2piv h SER 853 Cb 0.57 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 2piv h SER 853 CO -0.04 0.76 0.36 -0.09 -0.87 0.00 0.00 176.83 176.95 2piv h ARG 854 N 1.27 0.80 -0.17 4.77 2.43 -1.80 -2.32 114.38 119.36 2piv h ARG 854 Ca 0.38 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 2piv h ARG 854 Cb -0.05 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2piv h ARG 854 CO -0.11 0.57 0.05 -0.09 -1.51 0.00 0.00 179.97 178.87 2piv h ARG 855 N 0.82 0.27 -0.86 0.20 9.65 0.78 -1.33 114.38 123.91 2piv h ARG 855 Ca 0.21 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 59.08 2piv h ARG 855 Cb -0.03 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.46 2piv h ARG 855 CO -0.04 0.40 0.56 0.35 2.80 0.00 0.00 179.97 184.04 2piv h PHE 856 N 0.09 1.02 -0.11 2.20 3.57 -1.13 -0.13 116.94 122.45 2piv h PHE 856 Ca 0.05 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2piv h PHE 856 Cb 0.24 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2piv h PHE 856 CO 0.00 0.57 0.05 -0.92 -2.23 0.00 0.00 178.31 175.79 2piv h TYR 857 N 1.04 0.17 -0.39 0.41 3.20 -1.14 -1.13 116.97 119.13 2piv h TYR 857 Ca 0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.21 2piv h TYR 857 Cb 0.08 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2piv h TYR 857 CO -0.00 0.24 0.25 1.96 -1.64 0.00 0.00 178.16 178.97 2piv h GLN 858 N 0.04 0.51 -0.46 1.82 4.20 -0.35 -1.78 115.11 119.10 2piv h GLN 858 Ca 0.04 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2piv h GLN 858 Cb 0.14 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2piv h GLN 858 CO -0.00 0.34 0.03 -0.07 -0.67 0.00 0.00 178.83 178.46 2piv h LEU 859 N 0.52 0.77 -1.22 1.46 3.38 -0.99 -0.94 115.31 118.30 2piv h LEU 859 Ca 0.14 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2piv h LEU 859 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2piv h LEU 859 CO -0.03 0.87 -0.07 0.71 0.09 0.00 0.00 178.44 180.01 2piv h THR 860 N 0.65 1.20 -0.39 0.22 1.35 -1.12 0.01 112.91 114.84 2piv h THR 860 Ca 0.13 -0.86 -0.11 0.00 -0.55 0.00 0.00 66.41 65.02 2piv h THR 860 Cb 0.46 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 2piv h THR 860 CO 0.02 0.28 -0.19 0.11 -0.25 0.00 0.00 175.52 175.49 2piv h LYS 861 N 0.43 0.82 -0.18 4.72 1.79 -1.03 -2.02 116.57 121.10 2piv h LYS 861 Ca 0.09 -0.36 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2piv h LYS 861 Cb 0.39 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 2piv h LYS 861 CO 0.02 0.99 0.10 1.25 -1.08 0.00 0.00 179.45 180.74 2piv h LEU 862 N 0.63 0.22 -0.77 2.94 5.85 -0.61 -1.39 115.31 122.19 2piv h LEU 862 Ca 0.09 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2piv h LEU 862 Cb 0.75 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 2piv h LEU 862 CO 0.06 0.23 0.45 -0.07 -0.34 0.00 0.00 178.44 178.76 2piv h LEU 863 N 0.20 0.67 -0.96 2.25 3.38 -0.95 -2.03 115.31 117.88 2piv h LEU 863 Ca 0.06 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2piv h LEU 863 Cb 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2piv h LEU 863 CO -0.01 0.41 0.05 0.44 0.09 0.00 0.00 178.44 179.42 2piv h ASP 864 N 0.80 0.77 0.36 -0.43 3.32 -1.03 -2.60 116.42 117.62 2piv h ASP 864 Ca 0.35 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2piv h ASP 864 Cb 0.24 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2piv h ASP 864 CO -0.20 0.81 0.00 -1.54 -1.72 0.00 0.00 179.24 176.59 2piv n SER 865 N -4.24 0.55 0.00 6.45 3.41 -0.55 -2.13 113.62 117.11 2piv n SER 865 Ca 0.03 0.69 -0.18 0.00 -0.26 0.00 0.00 58.87 59.15 2piv n SER 865 Cb 0.27 -0.79 -0.08 0.00 -0.26 0.00 0.00 64.21 63.35 2piv n SER 865 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2piv h VAL 866 N 0.00 1.28 -0.22 -3.33 2.07 -1.33 -3.35 116.25 111.37 2piv h VAL 866 Ca 0.00 -2.08 0.04 0.00 0.82 0.00 0.00 66.70 65.48 2piv h VAL 866 Cb 0.18 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2piv h VAL 866 CO 0.00 0.65 -0.06 1.56 0.02 0.00 0.00 177.57 179.74 2piv h GLN 867 N 0.49 -0.01 -0.99 1.57 1.08 -1.55 -0.96 115.11 114.74 2piv h GLN 867 Ca -0.08 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.24 2piv h GLN 867 Cb 1.52 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.87 2piv h GLN 867 CO 0.18 -0.00 0.62 -1.35 -0.95 0.00 0.00 178.83 177.33 2piv h PRO 868 N -0.01 0.92 -0.35 1.46 0.11 -1.70 0.36 132.00 132.79 2piv h PRO 868 Ca 0.11 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 2piv h PRO 868 Cb 0.17 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 2piv h PRO 868 CO -0.23 0.61 -0.22 0.82 -0.21 0.00 0.00 178.00 178.77 2piv h ILE 869 N 0.95 1.29 -0.80 4.15 2.04 -1.52 -2.67 117.51 120.95 2piv h ILE 869 Ca 0.49 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 2piv h ILE 869 Cb 0.52 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 2piv h ILE 869 CO -0.26 0.45 0.38 0.00 0.00 0.00 0.00 178.15 178.72 2piv h ALA 870 N 0.78 1.17 -0.30 1.87 0.00 -0.04 -2.36 119.26 120.38 2piv h ALA 870 Ca 0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2piv h ALA 870 Cb 0.77 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2piv h ALA 870 CO 0.06 0.63 -0.25 -0.09 0.00 0.00 0.00 179.25 179.60 2piv h ARG 871 N 1.13 0.58 -0.41 0.00 2.43 -0.88 0.59 114.38 117.82 2piv h ARG 871 Ca 0.27 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2piv h ARG 871 Cb 0.12 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2piv h ARG 871 CO -0.03 0.78 -0.08 0.93 -1.51 0.00 0.00 179.97 180.05 2piv h GLU 872 N 0.51 0.72 0.00 0.20 5.08 -1.10 -1.72 114.58 118.27 2piv h GLU 872 Ca 0.07 -0.22 -0.18 0.00 -1.00 0.00 0.00 59.36 58.03 2piv h GLU 872 Cb 0.70 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2piv h GLU 872 CO 0.05 0.79 -0.84 -0.07 -1.00 0.00 0.00 179.01 177.95 2piv h LEU 873 N 0.66 0.10 -0.16 1.33 3.38 -0.96 -1.48 115.31 118.18 2piv h LEU 873 Ca 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2piv h LEU 873 Cb 0.53 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2piv h LEU 873 CO 0.03 0.89 0.09 0.45 0.09 0.00 0.00 178.44 179.99 2piv h HIS 874 N 0.04 0.21 -0.53 1.13 3.86 -0.57 0.48 115.15 119.78 2piv h HIS 874 Ca -0.02 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 2piv h HIS 874 Cb 1.46 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.84 2piv h HIS 874 CO 0.01 0.20 0.10 1.96 0.86 0.00 0.00 177.93 181.06 2piv h GLN 875 N 0.17 0.87 -0.05 2.45 4.20 -1.25 -1.71 115.11 119.78 2piv h GLN 875 Ca 0.06 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 2piv h GLN 875 Cb 0.05 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2piv h GLN 875 CO -0.01 0.84 0.02 0.35 -0.67 0.00 0.00 178.83 179.36 2piv h PHE 876 N 0.76 0.08 -0.27 2.96 3.04 -1.07 -1.80 116.94 120.63 2piv h PHE 876 Ca 0.16 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.03 2piv h PHE 876 Cb 0.38 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.86 2piv h PHE 876 CO 0.03 0.23 -0.15 0.00 -2.02 0.00 0.00 178.31 176.40 2piv h THR 877 N -0.09 1.23 0.18 4.41 1.03 -0.91 -1.43 112.91 117.34 2piv h THR 877 Ca 0.02 -1.05 -0.01 0.00 -0.01 0.00 0.00 66.41 65.36 2piv h THR 877 Cb 0.18 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 2piv h THR 877 CO -0.00 0.34 -0.09 0.15 -0.01 0.00 0.00 175.52 175.91 2piv h PHE 878 N 0.43 -0.22 -0.41 0.00 3.57 -1.16 -0.34 116.94 118.81 2piv h PHE 878 Ca 0.08 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2piv h PHE 878 Cb 0.52 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2piv h PHE 878 CO 0.02 -0.08 0.15 -0.44 -2.23 0.00 0.00 178.31 175.73 2piv h ASP 879 N -0.31 0.52 -0.47 0.41 3.32 -1.16 -2.24 116.42 116.49 2piv h ASP 879 Ca -0.02 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 2piv h ASP 879 Cb 0.24 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2piv h ASP 879 CO 0.04 0.49 -0.16 0.25 -1.72 0.00 0.00 179.24 178.13 2piv h LEU 880 N 0.57 0.96 -0.69 1.55 5.85 -0.99 -2.70 115.31 119.87 2piv h LEU 880 Ca 0.14 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 2piv h LEU 880 Cb 0.14 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2piv h LEU 880 CO -0.01 1.12 0.28 0.25 -0.34 0.00 0.00 178.44 179.74 2piv h LEU 881 N 0.79 0.95 -0.38 2.25 5.85 -0.63 0.23 115.31 124.37 2piv h LEU 881 Ca 0.11 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2piv h LEU 881 Cb 0.73 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2piv h LEU 881 CO 0.06 0.86 0.22 0.40 -0.34 0.00 0.00 178.44 179.63 2piv h ILE 882 N 0.98 1.03 -0.69 4.05 1.08 -1.28 -2.82 117.51 119.85 2piv h ILE 882 Ca 0.23 -0.15 -0.38 0.00 -0.39 0.00 0.00 64.86 64.17 2piv h ILE 882 Cb 0.21 0.55 -0.22 0.00 -3.07 0.00 0.00 36.82 34.28 2piv h ILE 882 CO -0.02 0.08 0.27 2.29 -0.69 0.00 0.00 178.15 180.08 2piv n LYS 883 N -4.89 2.14 -0.04 2.37 2.85 -1.03 -4.64 118.16 114.93 2piv n LYS 883 Ca 0.01 -3.17 -0.00 0.00 -1.05 0.00 0.00 58.31 54.10 2piv n LYS 883 Cb 0.07 -2.02 0.28 0.00 -0.65 0.00 0.00 35.03 32.70 2piv n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2piv h SER 884 N 1.12 0.56 0.79 -5.58 4.64 -0.27 -2.56 113.55 112.26 2piv h SER 884 Ca 0.43 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.59 2piv h SER 884 Cb 2.10 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 64.04 2piv h SER 884 CO 0.80 0.59 -0.31 0.45 -0.87 0.00 0.00 176.83 177.49 2piv h HIS 885 N 0.59 0.00 0.00 4.77 3.86 -1.82 -1.08 115.15 121.47 2piv h HIS 885 Ca 0.13 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.20 2piv h HIS 885 Cb 0.28 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 2piv h HIS 885 CO 0.01 0.31 -0.92 0.52 0.86 0.00 0.00 177.93 178.71 2piv h MET 886 N 0.00 0.00 -0.50 2.45 2.07 -1.82 -3.32 114.93 113.81 2piv h MET 886 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2piv h MET 886 Cb 0.79 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.52 2piv h MET 886 CO 0.04 0.47 0.00 1.33 1.07 0.00 0.00 176.91 179.82 2piv n VAL 887 N -3.10 1.00 -3.68 -2.22 0.24 -1.09 -4.99 118.33 104.48 2piv n VAL 887 Ca -0.03 -1.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.06 2piv n VAL 887 Cb 0.80 0.50 0.04 0.00 -1.47 0.00 0.00 33.84 33.71 2piv n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2piv n SER 888 N 0.97 -1.31 -4.39 -1.34 7.64 -0.81 -4.53 113.62 109.86 2piv n SER 888 Ca 0.17 -0.80 -0.34 0.00 1.01 0.00 0.00 58.87 58.91 2piv n SER 888 Cb 0.51 -4.15 -0.14 0.00 -1.01 0.00 0.00 64.21 59.42 2piv n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2piv s VAL 889 N -3.64 3.32 -0.05 0.44 1.01 -0.47 -4.71 120.40 116.30 2piv s VAL 889 Ca 0.02 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 2piv s VAL 889 Cb -0.01 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2piv s VAL 889 CO 0.80 0.49 0.48 -1.81 0.00 0.00 0.00 175.10 175.07 2piv s ASP 890 N 0.62 6.80 -0.20 3.32 1.01 -1.26 -4.63 116.67 122.33 2piv s ASP 890 Ca -0.05 0.95 0.01 0.00 0.71 0.00 0.00 52.55 54.16 2piv s ASP 890 Cb -0.15 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 41.51 2piv s ASP 890 CO 0.03 0.15 -0.17 -0.36 0.21 0.00 0.00 175.17 175.02 2piv s PHE 891 N -0.20 2.88 1.08 4.23 0.40 -1.26 -4.62 117.98 120.49 2piv s PHE 891 Ca 0.26 -1.70 -0.14 0.00 -0.60 0.00 0.00 56.93 54.75 2piv s PHE 891 Cb -0.16 -1.94 0.16 0.00 0.51 0.00 0.00 43.02 41.59 2piv s PHE 891 CO 0.13 -0.80 0.59 -2.30 0.70 0.00 0.00 175.22 173.54 2piv n PRO 892 N 4.61 -1.50 0.23 0.24 -0.02 -1.26 -4.61 135.00 132.69 2piv n PRO 892 Ca -0.20 -0.40 -0.17 0.00 -2.02 0.00 0.00 63.50 60.71 2piv n PRO 892 Cb 0.49 -1.99 -0.09 0.00 -0.02 0.00 0.00 33.50 31.89 2piv n PRO 892 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2piv h GLU 893 N -2.17 -0.85 -0.49 -0.52 4.81 -1.99 -1.05 114.58 112.32 2piv h GLU 893 Ca -0.53 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 2piv h GLU 893 Cb 1.32 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.87 2piv h GLU 893 CO 0.42 -0.57 0.31 0.52 -0.73 0.00 0.00 179.01 178.96 2piv h MET 894 N -0.88 0.60 -0.20 1.92 2.86 -1.98 -1.82 114.93 115.42 2piv h MET 894 Ca -0.04 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2piv h MET 894 Cb 0.79 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 2piv h MET 894 CO -0.12 0.40 0.10 0.52 1.06 0.00 0.00 176.91 178.86 2piv h MET 895 N 0.62 0.21 -0.82 1.72 2.86 -1.89 -0.80 114.93 116.83 2piv h MET 895 Ca 0.19 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2piv h MET 895 Cb -0.02 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 2piv h MET 895 CO -0.07 0.14 0.42 0.00 1.06 0.00 0.00 176.91 178.46 2piv h ALA 896 N 1.10 1.20 -0.20 6.32 0.00 -1.03 -0.14 119.26 126.51 2piv h ALA 896 Ca 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2piv h ALA 896 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2piv h ALA 896 CO -0.06 0.63 -0.05 1.49 0.00 0.00 0.00 179.25 181.26 2piv h GLU 897 N 1.15 0.39 -0.30 0.00 4.22 -1.04 -2.68 114.58 116.33 2piv h GLU 897 Ca 0.28 -0.15 -0.12 0.00 0.08 0.00 0.00 59.36 59.45 2piv h GLU 897 Cb 0.07 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2piv h GLU 897 CO -0.04 0.65 -0.29 0.82 -2.18 0.00 0.00 179.01 177.97 2piv h ILE 898 N 0.11 1.30 0.00 2.32 2.04 -1.00 -1.93 117.51 120.35 2piv h ILE 898 Ca 0.05 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 2piv h ILE 898 Cb 0.51 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2piv h ILE 898 CO 0.02 0.47 -0.08 0.40 0.00 0.00 0.00 178.15 178.96 2piv h ILE 899 N 0.47 0.26 0.00 -0.67 2.04 -1.08 0.39 117.51 118.93 2piv h ILE 899 Ca 0.05 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2piv h ILE 899 Cb 0.86 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2piv h ILE 899 CO 0.07 0.08 -1.36 -1.54 0.00 0.00 0.00 178.15 175.41 2piv n SER 900 N -3.28 0.65 -0.03 1.72 3.41 -1.01 -4.06 113.62 111.01 2piv n SER 900 Ca -0.00 -0.63 -0.06 0.00 -0.26 0.00 0.00 58.87 57.92 2piv n SER 900 Cb 0.29 1.36 -0.03 0.00 -0.26 0.00 0.00 64.21 65.58 2piv n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2piv n VAL 901 N -1.77 0.38 -0.09 -3.33 0.31 -0.73 -4.71 118.33 108.39 2piv n VAL 901 Ca 0.01 -0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.06 2piv n VAL 901 Cb 0.41 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.24 2piv n VAL 901 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2piv h GLN 902 N -0.09 0.00 -0.75 5.55 1.08 -0.45 -3.38 115.11 117.07 2piv h GLN 902 Ca -0.16 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.21 2piv h GLN 902 Cb 1.21 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.52 2piv h GLN 902 CO -0.05 0.60 0.18 0.28 -0.95 0.00 0.00 178.83 178.88 2piv h VAL 903 N -1.00 0.48 -0.77 -0.54 2.07 -1.47 -0.38 116.25 114.65 2piv h VAL 903 Ca -0.21 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.35 2piv h VAL 903 Cb 0.98 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2piv h VAL 903 CO -0.13 0.05 0.51 -0.65 0.02 0.00 0.00 177.57 177.37 2piv h PRO 904 N 0.26 0.52 -0.27 1.57 0.11 -1.77 0.14 132.00 132.55 2piv h PRO 904 Ca 0.43 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.48 2piv h PRO 904 Cb 0.75 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2piv h PRO 904 CO -0.53 0.34 0.05 0.87 -0.21 0.00 0.00 178.00 178.52 2piv h LYS 905 N 0.54 0.40 -0.03 1.05 1.57 -1.24 0.17 116.57 119.02 2piv h LYS 905 Ca 0.37 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 2piv h LYS 905 Cb 0.69 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.94 2piv h LYS 905 CO -0.13 0.39 -0.39 0.82 -0.57 0.00 0.00 179.45 179.57 2piv h ILE 906 N 0.39 1.46 0.00 1.86 2.04 -0.73 0.14 117.51 122.68 2piv h ILE 906 Ca 0.09 -1.90 -0.06 0.00 1.00 0.00 0.00 64.86 63.99 2piv h ILE 906 Cb 0.19 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 2piv h ILE 906 CO -0.00 0.54 -0.28 -0.07 0.00 0.00 0.00 178.15 178.34 2piv h LEU 907 N -0.24 0.00 -0.18 1.44 3.38 -0.94 -2.26 115.31 116.52 2piv h LEU 907 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2piv h LEU 907 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2piv h LEU 907 CO 0.08 0.28 -0.13 -1.54 0.09 0.00 0.00 178.44 177.22 2piv n SER 908 N -3.89 0.40 0.00 -0.43 3.41 0.57 -4.92 113.62 108.76 2piv n SER 908 Ca -0.02 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 2piv n SER 908 Cb 0.36 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2piv n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2piv n GLY 909 N 1.32 0.74 0.16 5.00 0.00 -0.85 -4.93 105.19 106.63 2piv n GLY 909 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 2piv n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2piv h LYS 910 N 2.91 0.00 -4.31 1.61 1.57 -0.99 -3.43 116.57 113.93 2piv h LYS 910 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2piv h LYS 910 Cb 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 31.95 2piv h LYS 910 CO 0.00 0.45 -0.81 0.08 -0.57 0.00 0.00 179.45 178.60 2piv s VAL 911 N -3.15 1.08 0.09 0.50 1.01 -0.53 -0.75 120.40 118.64 2piv s VAL 911 Ca 0.03 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2piv s VAL 911 Cb 0.08 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2piv s VAL 911 CO 0.72 0.37 -0.21 -0.54 0.00 0.00 0.00 175.10 175.44 2piv s LYS 912 N 1.50 1.20 0.67 2.72 1.02 -0.88 -4.32 119.74 121.64 2piv s LYS 912 Ca 0.01 -1.12 -0.14 0.00 0.02 0.00 0.00 55.97 54.74 2piv s LYS 912 Cb -0.13 -1.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 2piv s LYS 912 CO -0.06 0.34 1.09 -2.14 -0.92 0.00 0.00 175.35 173.66 2piv s PRO 913 N -1.75 2.82 -0.48 -1.68 0.02 -1.26 -2.34 135.00 130.32 2piv s PRO 913 Ca 0.07 1.28 -0.15 0.00 0.02 0.00 0.00 61.00 62.22 2piv s PRO 913 Cb -0.10 -1.96 0.08 0.00 0.02 0.00 0.00 34.50 32.55 2piv s PRO 913 CO 0.04 -1.22 0.41 0.42 -0.33 0.00 0.00 177.00 176.32 2piv s ILE 914 N -2.52 5.14 0.31 2.83 1.01 0.37 -4.90 121.20 123.45 2piv s ILE 914 Ca 0.64 -1.18 -0.14 0.00 0.00 0.00 0.00 60.65 59.97 2piv s ILE 914 Cb -0.18 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 2piv s ILE 914 CO 0.44 -0.63 0.71 -0.31 0.00 0.00 0.00 174.94 175.14 2piv s TYR 915 N 1.61 3.39 -0.11 3.97 1.51 -1.26 -4.89 117.35 121.57 2piv s TYR 915 Ca 0.04 1.14 -0.21 0.00 -1.01 0.00 0.00 57.07 57.03 2piv s TYR 915 Cb -0.25 -2.48 -0.27 0.00 -0.11 0.00 0.00 41.96 38.85 2piv s TYR 915 CO 0.05 0.11 0.66 0.74 -1.11 0.00 0.00 175.55 176.00 2piv h PHE 916 N 2.23 0.32 -2.75 2.71 -1.00 -1.98 -3.47 116.94 113.01 2piv h PHE 916 Ca -0.48 -0.24 -0.58 0.00 2.81 0.00 0.00 57.97 59.49 2piv h PHE 916 Cb 1.17 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 40.64 2piv h PHE 916 CO 0.62 1.36 -0.59 -1.01 -1.61 0.00 0.00 178.31 177.07 2piv s HIS 917 N -2.39 3.06 -2.00 -0.55 3.76 -1.26 -5.16 115.29 110.75 2piv s HIS 917 Ca -0.19 -0.05 0.25 0.00 -0.15 0.00 0.00 55.06 54.92 2piv s HIS 917 Cb 0.02 -1.47 1.50 0.00 1.11 0.00 0.00 32.58 33.73 2piv s HIS 917 CO 0.75 0.52 1.85 2.41 -0.85 0.00 0.00 174.74 179.42