#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua n ASN 9 N 0.00 -3.71 -4.13 0.55 5.15 -1.26 -5.02 115.26 106.84 2uua n ASN 9 Ca 0.00 0.28 -0.38 0.00 -0.60 0.00 0.00 54.58 53.88 2uua n ASN 9 Cb 0.00 -2.25 -0.09 0.00 -0.53 0.00 0.00 39.78 36.91 2uua n ASN 9 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2uua s LEU 10 N -0.98 5.40 0.40 1.20 2.96 -1.26 -4.96 118.68 121.43 2uua s LEU 10 Ca 0.04 -2.50 0.02 0.00 -0.22 0.00 0.00 54.13 51.47 2uua s LEU 10 Cb -0.01 -1.89 0.10 0.00 0.50 0.00 0.00 46.19 44.89 2uua s LEU 10 CO 0.22 -0.47 0.87 0.28 -1.32 0.00 0.00 176.35 175.93 2uua h SER 11 N 7.54 0.00 -0.22 3.68 0.02 -2.06 -2.58 113.55 119.93 2uua h SER 11 Ca -0.06 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.68 2uua h SER 11 Cb 1.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.46 2uua h SER 11 CO 0.73 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 176.33 2uua n ALA 12 N -1.34 5.68 0.02 3.77 0.00 -1.26 -2.38 120.51 125.00 2uua n ALA 12 Ca -0.00 -1.56 0.02 0.00 0.00 0.00 0.00 53.44 51.90 2uua n ALA 12 Cb 0.75 -1.87 0.03 0.00 0.00 0.00 0.00 19.45 18.35 2uua n ALA 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2uua n LEU 13 N 1.78 1.88 0.07 0.00 -0.00 -0.97 -4.23 117.00 115.52 2uua n LEU 13 Ca 0.32 -1.63 -0.02 0.00 -0.00 0.00 0.00 56.01 54.68 2uua n LEU 13 Cb 0.72 -0.04 0.23 0.00 -0.00 0.00 0.00 43.42 44.33 2uua n LEU 13 CO 0.15 0.46 0.70 0.50 -0.00 0.00 0.00 177.39 179.20 2uua h LYS 14 N 0.57 0.34 -0.50 1.47 3.64 -1.75 -1.74 116.57 118.59 2uua h LYS 14 Ca 0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2uua h LYS 14 Cb 0.40 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2uua h LYS 14 CO 0.00 0.63 0.32 0.00 -2.27 0.00 0.00 179.45 178.12 2uua h ARG 15 N 0.29 0.66 -0.17 1.90 2.47 -1.85 -1.27 114.38 116.42 2uua h ARG 15 Ca 0.04 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 2uua h ARG 15 Cb 0.72 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 2uua h ARG 15 CO 0.05 0.45 -0.01 1.25 0.56 0.00 0.00 179.97 182.28 2uua h HIS 16 N 0.68 0.33 -0.27 3.04 2.76 -1.61 -0.45 115.15 119.63 2uua h HIS 16 Ca 0.18 -0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 2uua h HIS 16 Cb -0.06 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.76 2uua h HIS 16 CO 0.00 0.53 -0.13 0.00 -1.30 0.00 0.00 177.93 177.03 2uua h ARG 17 N 0.04 -0.09 -0.40 5.26 3.08 -1.22 -2.08 114.38 118.97 2uua h ARG 17 Ca 0.05 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2uua h ARG 17 Cb 0.40 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 2uua h ARG 17 CO 0.01 -0.06 0.19 1.96 -1.07 0.00 0.00 179.97 181.00 2uua h GLN 18 N -0.09 0.37 -0.64 0.04 4.20 -1.15 -1.90 115.11 115.94 2uua h GLN 18 Ca 0.14 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.96 2uua h GLN 18 Cb 0.30 -0.08 -0.10 0.00 0.30 0.00 0.00 27.48 27.90 2uua h GLN 18 CO -0.33 0.25 0.11 0.66 -0.67 0.00 0.00 178.83 178.85 2uua h SER 19 N 0.39 -0.06 -0.45 1.46 4.64 -0.43 0.44 113.55 119.54 2uua h SER 19 Ca 0.17 0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.65 2uua h SER 19 Cb 0.10 0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 2uua h SER 19 CO -0.13 -0.03 0.24 -0.07 -0.87 0.00 0.00 176.83 175.97 2uua h LEU 20 N 0.23 0.37 -0.01 5.97 3.38 -0.77 1.10 115.31 125.58 2uua h LEU 20 Ca 0.34 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 2uua h LEU 20 Cb 0.54 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2uua h LEU 20 CO -0.46 0.26 0.00 0.11 0.09 0.00 0.00 178.44 178.45 2uua h LYS 21 N 0.49 0.01 0.06 1.13 1.57 -0.35 -1.20 116.57 118.28 2uua h LYS 21 Ca 0.19 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2uua h LYS 21 Cb 0.07 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2uua h LYS 21 CO -0.12 0.10 -0.20 0.00 -0.57 0.00 0.00 179.45 178.66 2uua h ARG 22 N -0.08 -0.34 -0.68 3.15 3.08 0.32 0.22 114.38 120.05 2uua h ARG 22 Ca 0.00 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.21 2uua h ARG 22 Cb 0.09 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.09 2uua h ARG 22 CO -0.00 -0.23 -0.20 -0.09 -1.07 0.00 0.00 179.97 178.38 2uua h ARG 23 N -0.36 -0.03 -0.43 0.04 2.43 0.14 0.19 114.38 116.37 2uua h ARG 23 Ca 0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2uua h ARG 23 Cb 0.40 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2uua h ARG 23 CO -0.15 -0.02 0.15 1.25 -1.51 0.00 0.00 179.97 179.69 2uua h LEU 24 N -0.03 0.62 -1.07 3.80 5.85 -0.74 -0.01 115.31 123.74 2uua h LEU 24 Ca 0.32 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.87 2uua h LEU 24 Cb 0.52 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2uua h LEU 24 CO -0.72 0.65 0.63 -0.09 -0.34 0.00 0.00 178.44 178.58 2uua h ARG 25 N 0.56 1.20 0.57 1.25 2.43 0.10 -2.05 114.38 118.44 2uua h ARG 25 Ca 0.14 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2uua h ARG 25 Cb 0.24 -0.27 0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2uua h ARG 25 CO -0.01 0.80 -0.27 -0.91 -1.51 0.00 0.00 179.97 178.07 2uua h ASN 26 N 1.24 -0.64 -0.93 -3.80 2.35 -0.33 -3.10 115.58 110.36 2uua h ASN 26 Ca 0.37 0.02 0.28 0.00 -0.55 0.00 0.00 56.30 56.42 2uua h ASN 26 Cb -0.05 0.17 -0.17 0.00 0.05 0.00 0.00 38.32 38.32 2uua h ASN 26 CO -0.10 -0.25 0.09 1.17 -1.65 0.00 0.00 177.43 176.69 2uua n LYS 27 N -5.22 -0.07 0.16 0.81 4.81 -0.05 -1.27 118.16 117.33 2uua n LYS 27 Ca -0.09 1.37 -0.14 0.00 -0.87 0.00 0.00 58.31 58.58 2uua n LYS 27 Cb 0.30 -2.23 -0.08 0.00 0.02 0.00 0.00 35.03 33.04 2uua n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2uua h ALA 28 N 1.86 -0.34 -0.99 3.14 0.00 -1.38 -2.30 119.26 119.24 2uua h ALA 28 Ca 0.60 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.45 2uua h ALA 28 Cb 1.31 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 2uua h ALA 28 CO -0.85 -0.65 0.64 0.87 0.00 0.00 0.00 179.25 179.26 2uua h LYS 29 N -0.42 1.18 -0.02 0.00 1.57 -1.11 -2.77 116.57 115.00 2uua h LYS 29 Ca -0.04 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2uua h LYS 29 Cb 0.32 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2uua h LYS 29 CO 0.06 0.78 0.01 0.87 -0.57 0.00 0.00 179.45 180.60 2uua h LYS 30 N 1.22 0.02 -0.57 3.15 1.79 -1.35 -1.82 116.57 119.01 2uua h LYS 30 Ca 0.41 -0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.99 2uua h LYS 30 Cb 0.06 -0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.61 2uua h LYS 30 CO -0.14 0.15 -0.03 0.77 -1.08 0.00 0.00 179.45 179.12 2uua h SER 31 N -0.10 -0.30 0.18 0.86 0.02 -1.16 -0.48 113.55 112.57 2uua h SER 31 Ca 0.01 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2uua h SER 31 Cb 0.13 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2uua h SER 31 CO -0.00 -0.11 -0.30 0.00 -1.14 0.00 0.00 176.83 175.28 2uua h ALA 32 N 1.52 -0.90 -0.85 3.77 0.00 -1.23 -1.62 119.26 119.95 2uua h ALA 32 Ca 0.29 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2uua h ALA 32 Cb 0.45 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2uua h ALA 32 CO -0.50 -0.94 -0.50 -0.89 0.00 0.00 0.00 179.25 176.41 2uua n ILE 33 N -4.15 -0.58 0.08 0.00 5.41 -0.57 -1.09 119.36 118.45 2uua n ILE 33 Ca -0.06 2.07 -0.16 0.00 1.00 0.00 0.00 62.75 65.60 2uua n ILE 33 Cb 0.25 -2.56 -0.10 0.00 -0.71 0.00 0.00 39.64 36.52 2uua n ILE 33 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2uua h LYS 34 N 0.00 -0.67 -1.00 0.38 1.57 -0.90 -0.31 116.57 115.64 2uua h LYS 34 Ca 0.14 0.05 0.22 0.00 -1.87 0.00 0.00 60.65 59.18 2uua h LYS 34 Cb 0.35 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.71 2uua h LYS 34 CO -0.80 -0.45 0.62 1.15 -0.57 0.00 0.00 179.45 179.40 2uua h THR 35 N -0.70 0.62 0.05 -0.16 2.02 -0.11 0.33 112.91 114.97 2uua h THR 35 Ca 0.00 -0.21 -0.28 0.00 0.77 0.00 0.00 66.41 66.69 2uua h THR 35 Cb 0.73 -0.04 0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2uua h THR 35 CO -0.32 0.11 -1.14 -0.07 0.37 0.00 0.00 175.52 174.47 2uua h LEU 36 N 0.61 0.90 0.24 2.58 3.38 -0.88 -2.10 115.31 120.04 2uua h LEU 36 Ca 0.59 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2uua h LEU 36 Cb 1.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2uua h LEU 36 CO -0.37 1.57 -0.26 0.28 0.09 0.00 0.00 178.44 179.75 2uua h SER 37 N 0.34 -0.71 0.02 -0.43 0.02 0.82 0.30 113.55 113.91 2uua h SER 37 Ca -0.16 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2uua h SER 37 Cb 1.80 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 64.54 2uua h SER 37 CO 0.22 -0.38 -0.34 0.11 -1.14 0.00 0.00 176.83 175.30 2uua h LYS 38 N -0.55 -0.49 -0.89 3.45 1.57 -0.54 -0.52 116.57 118.60 2uua h LYS 38 Ca -0.00 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.05 2uua h LYS 38 Cb 0.51 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 32.79 2uua h LYS 38 CO -0.07 -0.33 0.24 -0.22 -0.57 0.00 0.00 179.45 178.50 2uua h LYS 39 N -0.51 0.20 0.47 3.15 3.64 -0.81 0.13 116.57 122.83 2uua h LYS 39 Ca 0.05 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2uua h LYS 39 Cb 0.59 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2uua h LYS 39 CO -0.26 0.13 -0.23 0.00 -2.27 0.00 0.00 179.45 176.82 2uua h ALA 40 N 1.79 -0.63 -0.20 5.00 0.00 0.83 -2.27 119.26 123.78 2uua h ALA 40 Ca 0.56 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.34 2uua h ALA 40 Cb 1.14 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2uua h ALA 40 CO -0.66 -0.71 0.18 -0.84 0.00 0.00 0.00 179.25 177.22 2uua h ILE 41 N -0.92 0.63 0.62 0.00 3.07 -0.01 0.12 117.51 121.01 2uua h ILE 41 Ca -0.06 0.00 -0.03 0.00 1.55 0.00 0.00 64.86 66.31 2uua h ILE 41 Cb 0.59 0.86 0.01 0.00 -0.27 0.00 0.00 36.82 38.00 2uua h ILE 41 CO 0.11 0.00 -0.30 1.56 -1.05 0.00 0.00 178.15 178.47 2uua h GLN 42 N 0.00 -0.80 -0.18 0.16 1.08 -0.58 -0.63 115.11 114.16 2uua h GLN 42 Ca 0.10 0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.30 2uua h GLN 42 Cb 0.46 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2uua h GLN 42 CO -0.00 -0.49 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.23 2uua h LEU 43 N -1.09 0.27 -0.72 1.46 3.38 -0.80 -1.42 115.31 116.39 2uua h LEU 43 Ca -0.08 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 2uua h LEU 43 Cb 0.68 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2uua h LEU 43 CO 0.14 0.40 -0.24 0.00 0.09 0.00 0.00 178.44 178.83 2uua h ALA 44 N 1.63 0.90 0.00 1.53 0.00 -0.79 -0.35 119.26 122.19 2uua h ALA 44 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2uua h ALA 44 Cb 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2uua h ALA 44 CO 0.02 0.62 0.00 0.94 0.00 0.00 0.00 179.25 180.83 2uua n GLN 45 N -4.11 0.32 -0.23 0.00 0.00 -0.25 -2.41 117.38 110.71 2uua n GLN 45 Ca -0.00 0.07 0.06 0.00 -0.00 0.00 0.00 57.00 57.13 2uua n GLN 45 Cb 0.44 -1.50 0.17 0.00 0.00 0.00 0.00 30.24 29.34 2uua n GLN 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2uua n GLU 46 N -1.29 2.70 -0.64 3.69 1.02 -0.56 -4.96 120.64 120.60 2uua n GLU 46 Ca 0.11 -2.33 0.00 0.00 -0.02 0.00 0.00 57.16 54.92 2uua n GLU 46 Cb 0.19 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 2uua n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uua n GLY 47 N -0.27 1.19 2.71 0.62 0.00 -1.01 -4.89 105.19 103.53 2uua n GLY 47 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2uua n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uua n LYS 48 N -2.00 2.21 0.00 1.61 4.01 -0.25 -4.74 118.16 119.00 2uua n LYS 48 Ca 0.00 -1.75 0.00 0.00 -0.51 0.00 0.00 58.31 56.05 2uua n LYS 48 Cb 0.00 -2.68 0.00 0.00 -0.51 0.00 0.00 35.03 31.84 2uua n LYS 48 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2uua n ALA 49 N 5.11 -0.04 -0.27 7.82 0.00 -1.26 -0.50 120.51 131.37 2uua n ALA 49 Ca 0.51 0.00 0.08 0.00 0.00 0.00 0.00 53.44 54.02 2uua n ALA 49 Cb 0.23 0.37 0.20 0.00 0.00 0.00 0.00 19.45 20.25 2uua n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2uua h GLU 50 N 0.00 0.14 0.00 0.00 4.81 -1.86 0.13 114.58 117.80 2uua h GLU 50 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2uua h GLU 50 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2uua h GLU 50 CO 0.00 0.09 -0.00 1.49 -0.73 0.00 0.00 179.01 179.86 2uua h GLU 51 N 0.15 -0.00 -0.59 1.92 4.57 -1.89 -2.21 114.58 116.52 2uua h GLU 51 Ca 0.46 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.60 2uua h GLU 51 Cb 0.84 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 2uua h GLU 51 CO -0.66 0.29 0.22 0.00 -1.18 0.00 0.00 179.01 177.69 2uua h ALA 52 N 0.70 1.28 -0.18 2.92 0.00 -0.02 -1.93 119.26 122.04 2uua h ALA 52 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2uua h ALA 52 Cb 0.29 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2uua h ALA 52 CO 0.00 0.53 -0.09 -0.07 0.00 0.00 0.00 179.25 179.62 2uua h LEU 53 N 0.85 0.38 -0.56 0.00 3.38 -1.02 0.62 115.31 118.97 2uua h LEU 53 Ca 0.20 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2uua h LEU 53 Cb 0.19 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 2uua h LEU 53 CO -0.02 0.71 -0.47 0.50 0.09 0.00 0.00 178.44 179.26 2uua h LYS 54 N 0.06 -0.25 -0.70 1.13 3.64 -0.96 0.24 116.57 119.72 2uua h LYS 54 Ca 0.04 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2uua h LYS 54 Cb 0.57 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2uua h LYS 54 CO 0.03 -0.16 0.17 0.82 -2.27 0.00 0.00 179.45 178.03 2uua h ILE 55 N -0.26 1.26 -0.49 2.00 2.04 -1.34 -2.77 117.51 117.95 2uua h ILE 55 Ca 0.16 -0.97 0.10 0.00 1.00 0.00 0.00 64.86 65.14 2uua h ILE 55 Cb 0.56 0.55 -0.10 0.00 -0.74 0.00 0.00 36.82 37.10 2uua h ILE 55 CO -0.68 0.37 -0.17 -0.03 0.00 0.00 0.00 178.15 177.65 2uua h MET 56 N 1.05 -0.05 -0.96 2.37 4.05 0.17 0.11 114.93 121.67 2uua h MET 56 Ca 0.22 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.73 2uua h MET 56 Cb 0.38 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.11 2uua h MET 56 CO 0.00 -0.04 0.60 0.00 0.23 0.00 0.00 176.91 177.71 2uua h ARG 57 N -0.06 1.00 0.48 0.39 -0.00 -0.44 0.83 114.38 116.58 2uua h ARG 57 Ca 0.23 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.64 2uua h ARG 57 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 29.97 30.14 2uua h ARG 57 CO -0.53 0.66 -0.50 0.87 0.00 0.00 0.00 179.97 180.47 2uua h LYS 58 N 1.03 -0.95 -0.78 0.04 1.57 -0.70 -0.35 116.57 116.43 2uua h LYS 58 Ca 0.45 0.06 0.18 0.00 -1.87 0.00 0.00 60.65 59.47 2uua h LYS 58 Cb 0.32 0.22 -0.13 0.00 0.08 0.00 0.00 32.23 32.72 2uua h LYS 58 CO -0.22 -0.63 0.06 0.00 -0.57 0.00 0.00 179.45 178.09 2uua h ALA 59 N -0.92 0.89 0.34 3.86 0.00 -0.26 0.24 119.26 123.41 2uua h ALA 59 Ca -0.06 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2uua h ALA 59 Cb 0.86 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2uua h ALA 59 CO -0.07 -0.42 -0.51 1.49 0.00 0.00 0.00 179.25 179.73 2uua h GLU 60 N 0.13 -0.87 -0.19 0.00 4.81 -0.15 0.03 114.58 118.35 2uua h GLU 60 Ca 0.44 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.78 2uua h GLU 60 Cb 0.80 0.20 -0.07 0.00 0.63 0.00 0.00 28.75 30.30 2uua h GLU 60 CO -0.65 -0.58 -0.42 1.03 -0.73 0.00 0.00 179.01 177.66 2uua h SER 61 N -0.90 -1.34 -0.80 1.04 0.87 0.65 -0.89 113.55 112.18 2uua h SER 61 Ca -0.04 0.18 0.16 0.00 -1.23 0.00 0.00 61.79 60.87 2uua h SER 61 Cb 0.83 0.55 -0.06 0.00 -0.44 0.00 0.00 62.40 63.29 2uua h SER 61 CO -0.16 -0.41 0.53 -0.07 -0.53 0.00 0.00 176.83 176.19 2uua h LEU 62 N -0.45 0.42 0.40 2.23 3.38 -0.42 0.01 115.31 120.88 2uua h LEU 62 Ca 0.09 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2uua h LEU 62 Cb 0.61 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2uua h LEU 62 CO -0.44 0.21 -0.19 0.40 0.09 0.00 0.00 178.44 178.51 2uua h ILE 63 N 0.44 0.36 -0.76 1.22 2.04 0.29 -1.23 117.51 119.86 2uua h ILE 63 Ca 0.40 -0.64 0.11 0.00 1.00 0.00 0.00 64.86 65.73 2uua h ILE 63 Cb 0.91 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 2uua h ILE 63 CO -0.14 0.07 0.50 0.44 0.00 0.00 0.00 178.15 179.03 2uua h ASP 64 N -1.01 0.54 -0.57 1.72 3.32 -0.85 0.21 116.42 119.78 2uua h ASP 64 Ca -0.05 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 2uua h ASP 64 Cb 0.53 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2uua h ASP 64 CO 0.09 0.31 0.01 0.11 -1.72 0.00 0.00 179.24 178.04 2uua h LYS 65 N 0.60 1.00 -0.99 3.56 1.57 -0.99 -1.75 116.57 119.57 2uua h LYS 65 Ca 0.36 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2uua h LYS 65 Cb 0.58 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 2uua h LYS 65 CO -0.13 0.99 0.65 0.00 -0.57 0.00 0.00 179.45 180.39 2uua h ALA 66 N 0.97 1.34 0.00 3.86 0.00 0.58 0.00 119.26 126.02 2uua h ALA 66 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2uua h ALA 66 Cb 0.53 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2uua h ALA 66 CO 0.03 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.86 2uua h ALA 67 N 1.41 1.00 -0.94 0.00 0.00 -0.15 -3.02 119.26 117.56 2uua h ALA 67 Ca 0.39 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.37 2uua h ALA 67 Cb -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2uua h ALA 67 CO -0.11 0.00 0.61 0.87 0.00 0.00 0.00 179.25 180.62 2uua h LYS 68 N 0.00 0.99 0.00 0.00 1.57 -0.36 -3.37 116.57 115.41 2uua h LYS 68 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2uua h LYS 68 Cb 0.33 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2uua h LYS 68 CO 0.00 0.66 0.00 0.41 -0.57 0.00 0.00 179.45 179.95 2uua n GLY 69 N -1.39 5.07 0.34 3.86 0.00 -1.15 -5.02 105.19 106.90 2uua n GLY 69 Ca 0.15 -2.17 0.18 0.00 0.00 0.00 0.00 46.02 44.19 2uua n GLY 69 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2uua h SER 70 N 0.00 0.00 -0.24 1.61 0.02 -1.86 -3.01 113.55 110.07 2uua h SER 70 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2uua h SER 70 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2uua h SER 70 CO 0.00 0.00 -0.16 0.74 -1.14 0.00 0.00 176.83 176.27 2uua h THR 71 N 0.00 0.00 0.00 -2.27 2.02 -1.92 -3.31 112.91 107.43 2uua h THR 71 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2uua h THR 71 Cb 0.43 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2uua h THR 71 CO -0.00 0.00 -0.11 -0.11 0.37 0.00 0.00 175.52 175.67 2uua n LEU 72 N -3.58 0.76 -2.42 2.58 7.94 -1.18 -5.02 117.00 116.09 2uua n LEU 72 Ca 0.00 -1.06 -0.23 0.00 -1.11 0.00 0.00 56.01 53.60 2uua n LEU 72 Cb 0.08 -0.05 -0.00 0.00 0.53 0.00 0.00 43.42 43.97 2uua n LEU 72 CO -0.03 0.26 -0.25 1.57 -1.11 0.00 0.00 177.39 177.82 2uua n HIS 73 N -0.29 -1.21 0.00 1.96 -0.00 -1.14 -3.68 115.22 110.86 2uua n HIS 73 Ca 0.02 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.55 2uua n HIS 73 Cb 0.50 -1.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.37 2uua n HIS 73 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2uua n LYS 74 N 0.76 0.00 0.01 1.57 4.76 -1.26 -4.37 118.16 119.63 2uua n LYS 74 Ca 0.06 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.64 2uua n LYS 74 Cb 0.23 0.00 0.59 0.00 -1.84 0.00 0.00 35.03 34.01 2uua n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2uua n ASN 75 N 0.00 0.08 -0.18 4.39 3.02 -1.26 -2.72 115.26 118.59 2uua n ASN 75 Ca 0.00 0.50 -0.07 0.00 -0.03 0.00 0.00 54.58 54.98 2uua n ASN 75 Cb 0.00 -0.51 0.02 0.00 -0.61 0.00 0.00 39.78 38.68 2uua n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uua h ALA 76 N 2.96 0.66 0.55 5.41 0.00 -1.78 0.31 119.26 127.37 2uua h ALA 76 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2uua h ALA 76 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2uua h ALA 76 CO 0.00 0.12 -0.39 0.00 0.00 0.00 0.00 179.25 178.98 2uua h ALA 77 N 1.18 -0.94 -0.70 0.00 0.00 -1.59 -1.50 119.26 115.71 2uua h ALA 77 Ca 0.19 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2uua h ALA 77 Cb -0.07 0.51 -0.13 0.00 0.00 0.00 0.00 17.79 18.10 2uua h ALA 77 CO -0.04 -1.05 -0.10 0.00 0.00 0.00 0.00 179.25 178.05 2uua h ALA 78 N -0.59 0.57 0.00 0.00 0.00 -1.54 0.04 119.26 117.75 2uua h ALA 78 Ca -0.06 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2uua h ALA 78 Cb 0.76 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2uua h ALA 78 CO 0.03 -0.42 -0.19 -0.09 0.00 0.00 0.00 179.25 178.58 2uua h ARG 79 N 0.04 -0.29 -0.14 0.00 2.43 -0.11 0.24 114.38 116.55 2uua h ARG 79 Ca 0.35 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.59 2uua h ARG 79 Cb 0.58 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 2uua h ARG 79 CO -0.68 -0.19 -0.23 0.00 -1.51 0.00 0.00 179.97 177.35 2uua h ARG 80 N -0.30 -0.28 0.14 0.20 2.47 -0.03 0.24 114.38 116.82 2uua h ARG 80 Ca 0.06 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.81 2uua h ARG 80 Cb 0.38 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.73 2uua h ARG 80 CO -0.17 -0.19 -0.23 0.87 0.56 0.00 0.00 179.97 180.81 2uua h LYS 81 N -0.29 -0.42 -0.00 0.04 1.57 -0.73 -1.66 116.57 115.07 2uua h LYS 81 Ca 0.10 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2uua h LYS 81 Cb 0.44 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2uua h LYS 81 CO -0.31 -0.28 -0.25 1.03 -0.57 0.00 0.00 179.45 179.07 2uua h SER 82 N -0.44 -0.77 -1.24 0.86 0.87 0.12 0.48 113.55 113.44 2uua h SER 82 Ca 0.02 0.09 0.36 0.00 -1.23 0.00 0.00 61.79 61.02 2uua h SER 82 Cb 0.45 0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 62.62 2uua h SER 82 CO -0.11 -0.24 0.86 0.03 -0.53 0.00 0.00 176.83 176.84 2uua h ARG 83 N -0.31 0.12 0.01 2.24 3.08 -0.44 -0.62 114.38 118.46 2uua h ARG 83 Ca 0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2uua h ARG 83 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2uua h ARG 83 CO -0.17 0.08 -0.01 1.25 -1.07 0.00 0.00 179.97 180.05 2uua h LEU 84 N 0.12 -0.02 -0.48 3.04 6.46 -0.29 -2.59 115.31 121.55 2uua h LEU 84 Ca 0.64 -0.75 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2uua h LEU 84 Cb 2.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.18 2uua h LEU 84 CO -0.14 0.82 0.00 0.23 -0.62 0.00 0.00 178.44 178.73 2uua n MET 85 N -4.68 0.06 0.00 1.25 2.81 0.06 -1.04 117.12 115.57 2uua n MET 85 Ca -0.08 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 2uua n MET 85 Cb 0.37 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 2uua n MET 85 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2uua n ARG 86 N -1.78 0.00 -0.28 0.03 3.00 -0.33 -3.20 116.66 114.10 2uua n ARG 86 Ca 0.00 0.37 0.08 0.00 -0.00 0.00 0.00 57.85 58.31 2uua n ARG 86 Cb 0.05 -0.89 0.21 0.00 0.00 0.00 0.00 32.46 31.82 2uua n ARG 86 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2uua h LYS 87 N 0.00 0.12 0.70 -0.14 1.57 -1.04 -0.88 116.57 116.89 2uua h LYS 87 Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2uua h LYS 87 Cb 0.00 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.29 2uua h LYS 87 CO 0.00 0.08 -0.34 0.28 -0.57 0.00 0.00 179.45 178.90 2uua h VAL 88 N 0.12 0.29 -0.49 0.50 2.07 -1.27 0.83 116.25 118.30 2uua h VAL 88 Ca 0.47 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.96 2uua h VAL 88 Cb 0.89 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2uua h VAL 88 CO -0.69 0.01 0.33 -0.09 0.02 0.00 0.00 177.57 177.14 2uua h ARG 89 N -0.99 0.50 0.54 1.57 2.43 -1.41 0.63 114.38 117.65 2uua h ARG 89 Ca -0.10 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 2uua h ARG 89 Cb 0.73 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2uua h ARG 89 CO 0.16 0.33 -0.26 1.96 -1.51 0.00 0.00 179.97 180.65 2uua h GLN 90 N 0.51 -0.70 -1.04 0.20 7.50 -0.98 -0.96 115.11 119.65 2uua h GLN 90 Ca 0.20 0.05 0.27 0.00 0.50 0.00 0.00 58.65 59.67 2uua h GLN 90 Cb 0.17 0.16 -0.09 0.00 0.05 0.00 0.00 27.48 27.77 2uua h GLN 90 CO -0.05 -0.46 0.68 -0.07 -1.50 0.00 0.00 178.83 177.42 2uua h LEU 91 N -1.19 0.39 -0.28 1.46 3.38 -0.53 0.38 115.31 118.93 2uua h LEU 91 Ca -0.07 0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 2uua h LEU 91 Cb 0.55 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2uua h LEU 91 CO 0.12 0.08 -0.83 -0.07 0.09 0.00 0.00 178.44 177.83 2uua h LEU 92 N 0.35 0.54 -1.46 1.67 3.38 -0.86 -2.99 115.31 115.94 2uua h LEU 92 Ca 0.58 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2uua h LEU 92 Cb 1.55 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2uua h LEU 92 CO -0.25 1.16 -0.26 -0.33 0.09 0.00 0.00 178.44 178.85 2uua h GLU 93 N 0.27 0.02 -1.52 1.13 5.08 0.11 -1.33 114.58 118.34 2uua h GLU 93 Ca -0.06 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2uua h GLU 93 Cb 1.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2uua h GLU 93 CO 0.15 0.28 0.00 0.00 -1.00 0.00 0.00 179.01 178.43 2uua n ALA 94 N -2.49 2.23 0.00 3.43 0.00 -0.22 -4.62 120.51 118.84 2uua n ALA 94 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2uua n ALA 94 Cb 0.32 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2uua n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uua n ALA 95 N 0.88 0.00 -2.80 0.00 0.00 -0.82 -5.03 120.51 112.74 2uua n ALA 95 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2uua n ALA 95 Cb 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 2uua n ALA 95 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2uua s GLY 96 N 0.00 2.04 0.44 0.00 0.00 -0.56 -5.10 107.32 104.14 2uua s GLY 96 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 44.72 43.62 2uua s GLY 96 CO 0.00 -0.71 1.40 0.00 0.00 0.00 0.00 173.10 173.79 2uua s ALA 97 N -1.20 3.24 -0.70 3.20 0.00 -1.26 -4.50 121.76 120.54 2uua s ALA 97 Ca 0.23 1.41 -0.26 0.00 0.00 0.00 0.00 51.96 53.34 2uua s ALA 97 Cb -0.12 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2uua s ALA 97 CO 0.14 -1.10 1.86 -1.25 0.00 0.00 0.00 175.76 175.41 2uua s PRO 98 N -2.41 2.63 -0.01 0.00 0.04 -1.26 -4.77 135.00 129.22 2uua s PRO 98 Ca 0.60 0.32 -0.05 0.00 0.04 0.00 0.00 61.00 61.92 2uua s PRO 98 Cb -0.42 -4.57 -0.03 0.00 0.04 0.00 0.00 34.50 29.52 2uua s PRO 98 CO 0.54 -2.89 0.43 -0.07 0.04 0.00 0.00 177.00 175.06 2uua h LEU 99 N 16.68 -0.15 0.00 -3.56 3.38 -1.92 -3.34 115.31 126.42 2uua h LEU 99 Ca -0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2uua h LEU 99 Cb 1.12 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2uua h LEU 99 CO 1.22 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.76 2uua n ILE 100 N -3.08 0.00 -0.85 1.22 3.06 -1.26 -4.77 119.36 113.68 2uua n ILE 100 Ca -0.02 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 60.19 2uua n ILE 100 Cb 0.07 -0.71 -0.02 0.00 0.54 0.00 0.00 39.64 39.52 2uua n ILE 100 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2uua n GLY 101 N -0.27 0.41 0.00 4.50 0.00 -1.25 -4.82 105.19 103.76 2uua n GLY 101 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2uua n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uua n GLY 102 N 0.29 0.00 0.00 -0.02 0.00 -1.26 -4.23 105.19 99.97 2uua n GLY 102 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2uua n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uua n GLY 103 N 0.00 0.00 3.76 -0.02 0.00 -1.26 -5.00 105.19 102.67 2uua n GLY 103 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2uua n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uua s LEU 104 N -1.95 4.34 0.33 0.99 1.43 -1.26 -4.94 118.68 117.62 2uua s LEU 104 Ca 0.00 2.98 -0.11 0.00 -1.03 0.00 0.00 54.13 55.97 2uua s LEU 104 Cb 0.00 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.50 2uua s LEU 104 CO 0.00 -0.89 0.69 -0.94 0.23 0.00 0.00 176.35 175.44 2uua s SER 105 N 0.25 6.60 0.00 2.29 1.04 -1.26 -4.93 113.70 117.69 2uua s SER 105 Ca 0.59 1.08 0.00 0.00 0.48 0.00 0.00 55.95 58.10 2uua s SER 105 Cb -0.47 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2uua s SER 105 CO 0.54 -0.26 0.00 0.00 0.98 0.00 0.00 173.24 174.50