#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba h GLU 2 N 0.00 0.08 -3.87 0.03 4.39 -1.98 -3.27 114.58 109.95 2qba h GLU 2 Ca 0.00 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2qba h GLU 2 Cb 0.00 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2qba h GLU 2 CO 0.00 1.07 0.00 -2.37 -1.16 0.00 0.00 179.01 176.55 2qba n THR 3 N -4.17 -0.52 -3.84 1.13 5.66 -1.26 -4.18 114.28 107.10 2qba n THR 3 Ca -0.31 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.43 2qba n THR 3 Cb 0.78 -1.55 -0.00 0.00 -1.55 0.00 0.00 70.33 68.01 2qba n THR 3 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2qba s ILE 4 N 0.00 1.66 -0.30 1.09 -5.25 -1.26 -3.85 121.20 113.29 2qba s ILE 4 Ca 0.00 -1.46 -0.16 0.00 -0.99 0.00 0.00 60.65 58.03 2qba s ILE 4 Cb 0.00 -2.12 0.19 0.00 2.95 0.00 0.00 42.46 43.48 2qba s ILE 4 CO 0.00 0.00 1.17 0.00 -1.79 0.00 0.00 174.94 174.32 2qba s ALA 5 N -2.77 -2.57 0.32 2.27 0.00 -1.06 -4.88 121.76 113.06 2qba s ALA 5 Ca 0.35 2.04 0.04 0.00 0.00 0.00 0.00 51.96 54.40 2qba s ALA 5 Cb -0.02 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 2qba s ALA 5 CO 0.22 -0.35 0.18 -1.59 0.00 0.00 0.00 175.76 174.21 2qba s LYS 6 N 1.19 1.67 -0.12 0.00 0.00 -1.26 -1.84 119.74 119.37 2qba s LYS 6 Ca -0.08 -1.96 0.01 0.00 0.00 0.00 0.00 55.97 53.94 2qba s LYS 6 Cb -0.03 -0.07 0.02 0.00 0.00 0.00 0.00 37.83 37.75 2qba s LYS 6 CO -0.12 -0.50 -0.14 -1.58 0.00 0.00 0.00 175.35 173.01 2qba s HIS 7 N -3.53 1.99 -0.11 1.78 2.46 -0.20 -4.98 115.29 112.71 2qba s HIS 7 Ca 0.35 -1.00 -0.05 0.00 0.47 0.00 0.00 55.06 54.83 2qba s HIS 7 Cb 0.04 -1.46 -0.04 0.00 -0.13 0.00 0.00 32.58 31.00 2qba s HIS 7 CO 0.19 -0.53 0.09 1.03 -2.47 0.00 0.00 174.74 173.05 2qba s ARG 8 N 1.18 3.29 -1.07 2.88 0.52 -1.26 -1.52 118.95 122.97 2qba s ARG 8 Ca -0.02 -0.22 -0.04 0.00 -0.52 0.00 0.00 55.73 54.92 2qba s ARG 8 Cb -0.14 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.28 2qba s ARG 8 CO -0.05 0.75 0.92 0.72 0.02 0.00 0.00 175.30 177.66 2qba n HIS 9 N 2.03 -2.15 -1.91 -0.53 8.25 -0.03 -4.93 115.22 115.96 2qba n HIS 9 Ca -0.20 0.81 -0.42 0.00 -0.26 0.00 0.00 57.72 57.66 2qba n HIS 9 Cb 0.55 -4.41 -0.03 0.00 1.12 0.00 0.00 29.99 27.22 2qba n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qba s ALA 10 N -3.28 3.67 -0.83 -1.41 0.00 0.15 -4.65 121.76 115.42 2qba s ALA 10 Ca 0.29 1.19 -0.18 0.00 0.00 0.00 0.00 51.96 53.27 2qba s ALA 10 Cb -0.13 -3.72 -0.12 0.00 0.00 0.00 0.00 23.12 19.15 2qba s ALA 10 CO 0.60 -1.19 1.98 0.54 0.00 0.00 0.00 175.76 177.69 2qba n ARG 11 N 5.97 1.69 0.00 0.00 5.12 -1.26 -1.13 116.66 127.04 2qba n ARG 11 Ca 0.16 -1.77 0.00 0.00 -1.93 0.00 0.00 57.85 54.32 2qba n ARG 11 Cb 0.41 -2.81 0.00 0.00 -1.16 0.00 0.00 32.46 28.90 2qba n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2qba n SER 12 N 6.60 0.00 0.00 0.55 2.88 -1.26 -5.04 113.62 117.35 2qba n SER 12 Ca 0.48 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2qba n SER 12 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 2qba n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2qba n SER 13 N -0.94 0.00 0.00 -3.46 3.41 -1.25 -4.82 113.62 106.55 2qba n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qba n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qba n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qba n ALA 14 N 0.00 0.00 0.11 7.33 0.00 -1.26 -2.97 120.51 123.72 2qba n ALA 14 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2qba n ALA 14 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 2qba n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba n GLN 15 N -0.55 0.06 -0.04 0.00 10.64 -1.26 0.10 117.38 126.35 2qba n GLN 15 Ca 0.00 0.49 -0.12 0.00 -1.83 0.00 0.00 57.00 55.54 2qba n GLN 15 Cb 0.00 -1.96 -0.14 0.00 -0.86 0.00 0.00 30.24 27.28 2qba n GLN 15 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2qba n LYS 16 N -1.83 0.67 -0.08 2.61 5.02 -1.26 -3.67 118.16 119.62 2qba n LYS 16 Ca -0.01 0.23 -0.14 0.00 -2.02 0.00 0.00 58.31 56.37 2qba n LYS 16 Cb 0.26 -1.71 -0.11 0.00 -0.02 0.00 0.00 35.03 33.46 2qba n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qba h VAL 17 N 0.02 1.26 0.00 -0.18 2.07 0.36 -3.23 116.25 116.54 2qba h VAL 17 Ca -0.38 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.05 2qba h VAL 17 Cb 2.05 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 34.34 2qba h VAL 17 CO 0.06 0.43 0.00 -2.11 0.02 0.00 0.00 177.57 175.97 2qba n ARG 18 N -4.58 0.46 -0.07 1.57 1.85 0.23 -0.82 116.66 115.29 2qba n ARG 18 Ca -0.15 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.57 2qba n ARG 18 Cb 0.48 -1.12 -0.14 0.00 -1.05 0.00 0.00 32.46 30.63 2qba n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2qba n LEU 19 N -0.10 1.17 -0.07 2.89 7.94 -1.22 -4.24 117.00 123.37 2qba n LEU 19 Ca 0.00 0.10 -0.03 0.00 -1.11 0.00 0.00 56.01 54.97 2qba n LEU 19 Cb 0.06 -0.08 -0.16 0.00 0.53 0.00 0.00 43.42 43.77 2qba n LEU 19 CO 0.00 0.61 -1.01 0.55 -1.11 0.00 0.00 177.39 176.43 2qba n VAL 20 N -3.02 0.90 -0.26 1.96 3.14 -0.00 -4.39 118.33 116.67 2qba n VAL 20 Ca -0.32 -0.72 -0.01 0.00 -2.96 0.00 0.00 64.34 60.33 2qba n VAL 20 Cb 1.08 -0.31 0.11 0.00 -1.06 0.00 0.00 33.84 33.67 2qba n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qba h ALA 21 N 1.30 0.99 -0.54 1.55 0.00 -1.52 -0.64 119.26 120.40 2qba h ALA 21 Ca -0.36 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.64 2qba h ALA 21 Cb 1.80 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 2qba h ALA 21 CO 0.02 0.12 0.36 -0.44 0.00 0.00 0.00 179.25 179.32 2qba h ASP 22 N 0.78 0.37 -1.13 0.00 5.19 -1.77 -1.43 116.42 118.43 2qba h ASP 22 Ca 0.32 0.00 0.32 0.00 -0.62 0.00 0.00 57.03 57.05 2qba h ASP 22 Cb 0.18 -0.07 -0.09 0.00 0.18 0.00 0.00 39.33 39.52 2qba h ASP 22 CO -0.18 0.23 0.74 -0.07 -3.12 0.00 0.00 179.24 176.85 2qba h LEU 23 N 0.41 0.33 0.00 1.55 3.38 -1.33 -3.33 115.31 116.33 2qba h LEU 23 Ca 0.24 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2qba h LEU 23 Cb 0.41 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2qba h LEU 23 CO -0.06 0.01 0.00 -0.38 0.09 0.00 0.00 178.44 178.10 2qba n ILE 24 N -4.57 0.00 -3.33 1.22 5.41 -0.55 -4.95 119.36 112.59 2qba n ILE 24 Ca 0.28 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.76 2qba n ILE 24 Cb 1.06 -0.17 0.03 0.00 -0.71 0.00 0.00 39.64 39.85 2qba n ILE 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2qba n ARG 25 N 0.00 -1.83 0.00 0.38 0.63 -1.18 -3.49 116.66 111.18 2qba n ARG 25 Ca 0.00 1.50 0.00 0.00 -0.92 0.00 0.00 57.85 58.43 2qba n ARG 25 Cb 0.00 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.32 2qba n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qba n GLY 26 N 0.04 2.89 2.60 5.14 0.00 0.19 -4.97 105.19 111.08 2qba n GLY 26 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2qba n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qba n LYS 27 N -2.00 2.47 0.00 1.61 5.02 -1.23 -4.47 118.16 119.56 2qba n LYS 27 Ca 0.00 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 2qba n LYS 27 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 35.03 32.37 2qba n LYS 27 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2qba n LYS 28 N 4.49 0.00 0.00 1.97 0.00 -1.26 -2.73 118.16 120.64 2qba n LYS 28 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.85 2qba n LYS 28 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.23 2qba n LYS 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qba n VAL 29 N 0.00 0.00 0.03 3.15 0.31 -1.18 0.30 118.33 120.95 2qba n VAL 29 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2qba n VAL 29 Cb 0.00 -0.05 -0.02 0.00 -0.91 0.00 0.00 33.84 32.86 2qba n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2qba h SER 30 N 0.00 -0.24 0.65 4.52 0.02 -1.84 -1.37 113.55 115.29 2qba h SER 30 Ca 0.00 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 2qba h SER 30 Cb 0.00 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2qba h SER 30 CO 0.00 -0.10 -0.47 1.56 -1.14 0.00 0.00 176.83 176.68 2qba h GLN 31 N -0.14 0.00 -0.13 3.45 1.08 -1.92 -2.38 115.11 115.06 2qba h GLN 31 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2qba h GLN 31 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2qba h GLN 31 CO -0.03 0.47 0.00 0.00 -0.95 0.00 0.00 178.83 178.32 2qba n ALA 32 N -2.38 1.83 0.00 3.87 0.00 -0.97 -1.59 120.51 121.27 2qba n ALA 32 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2qba n ALA 32 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2qba n ALA 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qba n LEU 33 N -0.25 1.49 0.32 0.00 0.00 -0.56 -4.69 117.00 113.32 2qba n LEU 33 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 56.01 56.20 2qba n LEU 33 Cb 0.03 0.00 1.07 0.00 0.00 0.00 0.00 43.42 44.53 2qba n LEU 33 CO 0.00 0.25 1.15 0.44 0.00 0.00 0.00 177.39 179.23 2qba h ASP 34 N 0.00 0.00 0.37 1.96 3.45 -1.01 -2.17 116.42 119.02 2qba h ASP 34 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 2qba h ASP 34 Cb 0.55 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 2qba h ASP 34 CO 0.00 0.00 -0.18 0.40 -1.57 0.00 0.00 179.24 177.90 2qba h ILE 35 N 0.00 0.00 -0.48 0.35 1.08 -1.71 -2.84 117.51 113.91 2qba h ILE 35 Ca -0.00 -0.32 0.10 0.00 -0.39 0.00 0.00 64.86 64.25 2qba h ILE 35 Cb 0.02 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.68 2qba h ILE 35 CO 0.00 0.00 -0.16 -0.07 -0.69 0.00 0.00 178.15 177.23 2qba h LEU 36 N -0.81 -0.58 -1.32 1.44 -0.00 -1.77 0.69 115.31 112.97 2qba h LEU 36 Ca -0.05 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2qba h LEU 36 Cb 0.38 0.35 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 2qba h LEU 36 CO 0.08 -0.20 0.07 0.35 -0.00 0.00 0.00 178.44 178.74 2qba n THR 37 N -5.38 0.94 -2.85 0.22 -2.24 -0.84 -2.27 114.28 101.87 2qba n THR 37 Ca 0.04 0.74 -0.21 0.00 -2.27 0.00 0.00 64.05 62.35 2qba n THR 37 Cb 0.28 -1.74 -0.01 0.00 -2.10 0.00 0.00 70.33 66.76 2qba n THR 37 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2qba n TYR 38 N -2.21 2.28 -3.18 4.78 4.02 0.24 -4.93 117.16 118.15 2qba n TYR 38 Ca -0.01 -3.51 -0.01 0.00 -0.01 0.00 0.00 57.90 54.35 2qba n TYR 38 Cb 0.10 -0.36 -0.01 0.00 -0.02 0.00 0.00 39.34 39.05 2qba n TYR 38 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2qba s THR 39 N -3.89 -0.93 -0.92 -0.72 -4.23 -0.96 -4.88 115.64 99.11 2qba s THR 39 Ca 0.42 -0.20 -0.25 0.00 -1.18 0.00 0.00 61.69 60.48 2qba s THR 39 Cb 0.36 -0.07 -0.23 0.00 1.34 0.00 0.00 72.50 73.90 2qba s THR 39 CO -0.10 -0.06 1.99 -0.46 -0.54 0.00 0.00 174.62 175.45 2qba n ASN 40 N 4.26 1.04 -3.67 3.99 0.23 -1.26 -4.71 115.26 115.13 2qba n ASN 40 Ca 0.12 -2.40 -0.09 0.00 -0.53 0.00 0.00 54.58 51.68 2qba n ASN 40 Cb 0.56 -1.55 -0.09 0.00 -2.08 0.00 0.00 39.78 36.61 2qba n ASN 40 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2qba s LYS 41 N 8.16 0.49 0.01 -3.83 1.02 -1.26 -5.06 119.74 119.27 2qba s LYS 41 Ca 0.74 0.95 -0.02 0.00 0.02 0.00 0.00 55.97 57.67 2qba s LYS 41 Cb -0.03 0.07 -0.00 0.00 -0.52 0.00 0.00 37.83 37.34 2qba s LYS 41 CO 0.19 -0.16 0.46 1.17 -0.92 0.00 0.00 175.35 176.08 2qba n LYS 42 N 4.37 -0.03 -0.34 1.68 3.00 -1.26 0.78 118.16 126.36 2qba n LYS 42 Ca -0.21 0.45 0.19 0.00 -0.00 0.00 0.00 58.31 58.74 2qba n LYS 42 Cb 0.56 -0.68 0.42 0.00 0.00 0.00 0.00 35.03 35.34 2qba n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qba h ALA 43 N -0.32 1.94 0.00 3.14 0.00 -1.95 0.76 119.26 122.84 2qba h ALA 43 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qba h ALA 43 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qba h ALA 43 CO -0.06 -0.38 0.19 0.00 0.00 0.00 0.00 179.25 179.00 2qba h ALA 44 N 1.68 1.14 0.00 0.00 0.00 0.08 0.34 119.26 122.50 2qba h ALA 44 Ca 0.62 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.41 2qba h ALA 44 Cb 1.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2qba h ALA 44 CO -0.40 -0.14 -1.99 1.33 0.00 0.00 0.00 179.25 178.05 2qba n VAL 45 N -2.24 0.44 0.05 0.00 0.24 0.25 -3.42 118.33 113.66 2qba n VAL 45 Ca -0.01 -0.55 -0.20 0.00 -2.04 0.00 0.00 64.34 61.54 2qba n VAL 45 Cb 0.22 -0.15 -0.14 0.00 -1.47 0.00 0.00 33.84 32.29 2qba n VAL 45 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2qba h LEU 46 N 0.00 0.51 -0.52 1.34 3.38 -0.37 -2.96 115.31 116.68 2qba h LEU 46 Ca -0.17 -0.93 -0.14 0.00 0.09 0.00 0.00 57.88 56.72 2qba h LEU 46 Cb 1.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2qba h LEU 46 CO 0.01 1.40 -0.68 -0.37 0.09 0.00 0.00 178.44 178.89 2qba h VAL 47 N -0.30 1.39 0.06 1.22 -1.51 -1.06 -3.07 116.25 112.99 2qba h VAL 47 Ca -0.15 -2.40 0.02 0.00 -1.23 0.00 0.00 66.70 62.95 2qba h VAL 47 Cb 1.66 2.33 -0.03 0.00 -2.13 0.00 0.00 31.29 33.11 2qba h VAL 47 CO 0.16 0.67 -0.18 0.50 -1.23 0.00 0.00 177.57 177.48 2qba h LYS 48 N 0.00 -0.32 0.77 5.19 1.63 -1.61 -0.91 116.57 121.32 2qba h LYS 48 Ca -0.01 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 2qba h LYS 48 Cb 1.27 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.97 2qba h LYS 48 CO 0.09 -0.21 -0.49 0.87 -3.45 0.00 0.00 179.45 176.26 2qba h LYS 49 N -0.33 -1.14 -0.97 1.90 1.57 -1.52 -1.79 116.57 114.30 2qba h LYS 49 Ca 0.04 0.08 0.30 0.00 -1.87 0.00 0.00 60.65 59.20 2qba h LYS 49 Cb 0.37 0.26 -0.17 0.00 0.08 0.00 0.00 32.23 32.77 2qba h LYS 49 CO -0.13 -0.76 0.25 0.28 -0.57 0.00 0.00 179.45 178.52 2qba h VAL 50 N -1.18 0.10 0.46 0.50 2.07 -1.43 0.71 116.25 117.48 2qba h VAL 50 Ca -0.10 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2qba h VAL 50 Cb 0.95 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2qba h VAL 50 CO 0.09 0.01 -0.26 0.25 0.02 0.00 0.00 177.57 177.69 2qba h LEU 51 N 0.07 -0.63 -0.60 2.57 5.85 -0.67 0.33 115.31 122.23 2qba h LEU 51 Ca 0.66 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.41 2qba h LEU 51 Cb 1.50 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.70 2qba h LEU 51 CO -0.80 -0.41 0.00 -1.84 -0.34 0.00 0.00 178.44 175.05 2qba n GLU 52 N -3.91 0.57 -0.00 1.25 0.28 0.18 0.54 120.64 119.54 2qba n GLU 52 Ca -0.08 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.93 2qba n GLU 52 Cb 0.27 -1.17 -0.02 0.00 1.43 0.00 0.00 31.44 31.95 2qba n GLU 52 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2qba n SER 53 N -0.07 0.67 -0.10 -1.84 7.64 0.22 -4.18 113.62 115.96 2qba n SER 53 Ca 0.00 -0.50 -0.15 0.00 1.01 0.00 0.00 58.87 59.22 2qba n SER 53 Cb 0.09 1.02 -0.09 0.00 -1.01 0.00 0.00 64.21 64.21 2qba n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qba n ALA 54 N -1.14 1.55 -0.22 -0.43 0.00 0.19 -3.74 120.51 116.71 2qba n ALA 54 Ca 0.00 -0.89 0.07 0.00 0.00 0.00 0.00 53.44 52.62 2qba n ALA 54 Cb 0.05 0.04 0.33 0.00 0.00 0.00 0.00 19.45 19.87 2qba n ALA 54 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qba h ILE 55 N -0.07 1.01 0.41 0.00 5.03 -0.51 0.45 117.51 123.82 2qba h ILE 55 Ca -0.47 -0.28 -0.02 0.00 -0.12 0.00 0.00 64.86 63.97 2qba h ILE 55 Cb 1.70 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 35.62 2qba h ILE 55 CO -0.10 0.15 -0.20 0.00 -0.68 0.00 0.00 178.15 177.33 2qba h ALA 56 N 1.58 -0.55 -0.30 1.87 0.00 -1.76 -2.01 119.26 118.10 2qba h ALA 56 Ca 0.35 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2qba h ALA 56 Cb 0.30 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qba h ALA 56 CO -0.13 -0.67 0.41 -0.91 0.00 0.00 0.00 179.25 177.96 2qba h ASN 57 N -0.83 0.00 -0.19 0.00 -0.26 -1.35 0.35 115.58 113.30 2qba h ASN 57 Ca -0.06 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.64 2qba h ASN 57 Cb 0.54 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 2qba h ASN 57 CO 0.09 0.00 -0.07 0.00 -1.06 0.00 0.00 177.43 176.39 2qba h ALA 58 N 1.46 0.26 -2.26 -0.83 0.00 0.56 -3.34 119.26 115.12 2qba h ALA 58 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2qba h ALA 58 Cb 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2qba h ALA 58 CO -0.00 0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.70 2qba n GLU 59 N -4.61 0.00 -0.35 0.00 -0.58 0.11 -2.23 120.64 112.99 2qba n GLU 59 Ca -0.05 0.12 -0.30 0.00 -0.42 0.00 0.00 57.16 56.52 2qba n GLU 59 Cb 0.30 -0.91 0.29 0.00 -0.57 0.00 0.00 31.44 30.54 2qba n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2qba s HIS 60 N -0.96 -0.14 0.00 -0.32 2.46 -0.66 -4.23 115.29 111.44 2qba s HIS 60 Ca 0.00 0.76 0.00 0.00 0.47 0.00 0.00 55.06 56.29 2qba s HIS 60 Cb 0.00 -2.90 0.00 0.00 -0.13 0.00 0.00 32.58 29.55 2qba s HIS 60 CO 0.00 -4.80 0.00 0.09 -2.47 0.00 0.00 174.74 167.56 2qba n ASN 61 N -5.53 0.00 -0.40 9.88 5.03 -1.26 -4.60 115.26 118.37 2qba n ASN 61 Ca 0.09 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.54 2qba n ASN 61 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.34 2qba n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2qba n ASP 62 N 4.41 1.69 -0.05 6.41 8.00 -1.25 -5.08 116.55 130.68 2qba n ASP 62 Ca 0.00 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2qba n ASP 62 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2qba n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qba n GLY 63 N 5.00 0.25 0.00 0.44 0.00 -1.23 -4.16 105.19 105.50 2qba n GLY 63 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2qba n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba n ALA 64 N 0.61 0.00 -1.90 4.61 0.00 -0.95 -4.72 120.51 118.16 2qba n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qba n ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qba n ALA 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qba n ASP 65 N 0.00 -9.45 0.02 0.00 4.64 -1.26 -4.89 116.55 105.60 2qba n ASP 65 Ca 0.00 1.36 0.11 0.00 -1.38 0.00 0.00 54.79 54.88 2qba n ASP 65 Cb 0.00 -5.09 -0.12 0.00 -1.04 0.00 0.00 41.12 34.87 2qba n ASP 65 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 2qba n ILE 66 N 0.71 0.13 0.26 5.18 -0.00 -1.26 -4.35 119.36 120.04 2qba n ILE 66 Ca 0.00 -0.47 0.16 0.00 -0.00 0.00 0.00 62.75 62.43 2qba n ILE 66 Cb 0.00 -0.01 0.88 0.00 -0.00 0.00 0.00 39.64 40.51 2qba n ILE 66 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2qba h ASP 67 N 0.00 0.00 -0.50 7.28 3.32 -2.02 -2.08 116.42 122.42 2qba h ASP 67 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 2qba h ASP 67 Cb 0.96 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.33 2qba h ASP 67 CO 0.00 0.00 -0.06 -0.90 -1.72 0.00 0.00 179.24 176.56 2qba n ASP 68 N -3.83 3.33 -4.79 6.45 5.75 -1.26 -5.01 116.55 117.19 2qba n ASP 68 Ca -0.01 -3.78 -0.36 0.00 -0.01 0.00 0.00 54.79 50.63 2qba n ASP 68 Cb 0.17 -0.64 -0.08 0.00 -1.03 0.00 0.00 41.12 39.55 2qba n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qba s LEU 69 N -3.36 4.00 0.01 -2.12 1.02 -0.79 -4.38 118.68 113.06 2qba s LEU 69 Ca 0.48 0.30 0.01 0.00 0.02 0.00 0.00 54.13 54.94 2qba s LEU 69 Cb 0.42 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.63 2qba s LEU 69 CO 0.01 0.38 -0.05 -1.59 0.02 0.00 0.00 176.35 175.12 2qba s LYS 70 N -1.05 0.36 -1.01 1.70 -2.85 0.76 -3.09 119.74 114.56 2qba s LYS 70 Ca 0.15 -0.27 -0.20 0.00 -1.00 0.00 0.00 55.97 54.65 2qba s LYS 70 Cb -0.12 -0.29 -0.09 0.00 -2.06 0.00 0.00 37.83 35.27 2qba s LYS 70 CO 0.04 0.07 1.99 1.55 0.10 0.00 0.00 175.35 179.10 2qba n VAL 71 N 2.65 2.34 -0.33 1.79 3.14 0.15 0.49 118.33 128.56 2qba n VAL 71 Ca -0.15 -2.12 0.31 0.00 -2.96 0.00 0.00 64.34 59.42 2qba n VAL 71 Cb 0.58 -2.37 0.66 0.00 -1.06 0.00 0.00 33.84 31.65 2qba n VAL 71 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2qba h THR 72 N 4.64 0.43 -2.61 1.55 1.35 -1.55 0.55 112.91 117.28 2qba h THR 72 Ca 0.43 -0.05 -0.08 0.00 -0.55 0.00 0.00 66.41 66.16 2qba h THR 72 Cb 0.71 0.28 -0.19 0.00 -1.73 0.00 0.00 68.15 67.22 2qba h THR 72 CO 1.82 0.03 -0.04 -0.75 -0.25 0.00 0.00 175.52 176.33 2qba s LYS 73 N -5.15 0.90 -0.08 4.72 2.47 -0.74 -4.63 119.74 117.23 2qba s LYS 73 Ca -0.06 -0.05 -0.24 0.00 -1.56 0.00 0.00 55.97 54.06 2qba s LYS 73 Cb 0.24 0.41 0.05 0.00 -1.46 0.00 0.00 37.83 37.07 2qba s LYS 73 CO 0.80 -0.28 0.55 -1.50 0.16 0.00 0.00 175.35 175.08 2qba s ILE 74 N -1.56 0.02 0.00 5.43 1.10 -1.26 -0.24 121.20 124.68 2qba s ILE 74 Ca -0.11 -0.13 0.00 0.00 -0.51 0.00 0.00 60.65 59.90 2qba s ILE 74 Cb -0.02 -0.84 0.00 0.00 0.15 0.00 0.00 42.46 41.75 2qba s ILE 74 CO 0.05 -0.07 0.00 2.22 -2.11 0.00 0.00 174.94 175.03 2qba n PHE 75 N 1.48 0.00 -4.23 3.50 -1.74 -0.91 -5.02 117.46 110.55 2qba n PHE 75 Ca -0.18 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.53 2qba n PHE 75 Cb 0.56 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.44 2qba n PHE 75 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2qba s VAL 76 N -2.00 0.83 0.22 1.97 -7.23 -1.26 -0.44 120.40 112.50 2qba s VAL 76 Ca 0.00 -0.89 0.09 0.00 -1.81 0.00 0.00 61.98 59.38 2qba s VAL 76 Cb 0.00 -0.78 -0.05 0.00 0.56 0.00 0.00 36.38 36.11 2qba s VAL 76 CO 0.00 -0.09 -0.17 -1.81 -0.31 0.00 0.00 175.10 172.72 2qba s ASP 77 N -1.09 2.97 0.08 4.85 1.11 -1.12 -4.89 116.67 118.58 2qba s ASP 77 Ca -0.02 -1.00 -0.31 0.00 0.18 0.00 0.00 52.55 51.41 2qba s ASP 77 Cb -0.07 -0.20 -0.10 0.00 1.07 0.00 0.00 42.92 43.61 2qba s ASP 77 CO 0.01 -0.07 1.89 -0.62 1.18 0.00 0.00 175.17 177.56 2qba n GLU 78 N -0.34 2.80 -3.84 8.23 1.02 -1.26 -1.90 120.64 125.34 2qba n GLU 78 Ca -0.08 1.02 -0.21 0.00 -0.02 0.00 0.00 57.16 57.88 2qba n GLU 78 Cb 0.60 -2.94 -0.02 0.00 -0.02 0.00 0.00 31.44 29.06 2qba n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2qba s GLY 79 N 3.39 1.40 -0.77 0.62 0.00 -0.51 -4.86 107.32 106.60 2qba s GLY 79 Ca 0.85 -1.37 -0.26 0.00 0.00 0.00 0.00 44.72 43.94 2qba s GLY 79 CO 0.40 -1.35 2.49 -1.05 0.00 0.00 0.00 173.10 173.59 2qba n PRO 80 N -1.43 0.48 -2.18 2.90 -0.02 -1.26 -3.75 135.00 129.75 2qba n PRO 80 Ca -0.06 -0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 60.90 2qba n PRO 80 Cb 0.58 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 2qba n PRO 80 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qba s SER 81 N 9.55 6.85 0.09 2.55 1.04 -1.26 -4.23 113.70 128.28 2qba s SER 81 Ca 1.15 2.43 -0.30 0.00 0.48 0.00 0.00 55.95 59.71 2qba s SER 81 Cb -0.64 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 62.81 2qba s SER 81 CO 0.36 -0.57 1.07 -0.04 0.98 0.00 0.00 173.24 175.03 2qba s MET 82 N 0.04 4.56 0.31 4.02 -1.94 -0.60 -4.79 119.30 120.91 2qba s MET 82 Ca 0.58 1.60 -0.15 0.00 -1.71 0.00 0.00 55.69 56.02 2qba s MET 82 Cb -0.37 -3.36 -0.09 0.00 2.01 0.00 0.00 34.83 33.02 2qba s MET 82 CO 0.38 -0.02 0.71 0.15 -0.01 0.00 0.00 175.02 176.23 2qba s LYS 83 N 0.44 3.99 0.25 2.03 -0.14 -1.26 0.23 119.74 125.28 2qba s LYS 83 Ca 0.52 0.63 -0.08 0.00 -1.36 0.00 0.00 55.97 55.68 2qba s LYS 83 Cb -0.26 -2.47 0.03 0.00 -1.68 0.00 0.00 37.83 33.45 2qba s LYS 83 CO 0.31 0.18 0.47 -2.13 -0.76 0.00 0.00 175.35 173.42 2qba n ARG 84 N -0.30 0.68 -4.05 1.68 3.00 -1.12 -4.91 116.66 111.64 2qba n ARG 84 Ca 0.03 -1.56 -0.15 0.00 -0.00 0.00 0.00 57.85 56.17 2qba n ARG 84 Cb 0.53 1.81 -0.15 0.00 0.00 0.00 0.00 32.46 34.66 2qba n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2qba s ILE 85 N -2.48 0.28 -0.16 5.15 1.01 -1.26 -4.41 121.20 119.33 2qba s ILE 85 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2qba s ILE 85 Cb -0.03 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 42.21 2qba s ILE 85 CO 0.09 0.10 -0.10 -0.04 0.00 0.00 0.00 174.94 174.99 2qba s MET 86 N 0.13 1.90 0.35 2.79 -1.94 -0.83 -4.90 119.30 116.81 2qba s MET 86 Ca -0.01 -0.58 -0.29 0.00 -1.71 0.00 0.00 55.69 53.10 2qba s MET 86 Cb -0.04 -2.09 -0.11 0.00 2.01 0.00 0.00 34.83 34.60 2qba s MET 86 CO -0.00 -0.34 1.54 -2.30 -0.01 0.00 0.00 175.02 173.90 2qba n PRO 87 N 4.80 2.72 -4.38 2.03 -0.02 -1.26 -1.68 135.00 137.20 2qba n PRO 87 Ca -0.14 0.96 -0.19 0.00 -2.02 0.00 0.00 63.50 62.11 2qba n PRO 87 Cb 0.48 -2.72 -0.10 0.00 -0.02 0.00 0.00 33.50 31.14 2qba n PRO 87 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qba s ARG 88 N -1.58 1.52 0.30 -0.52 3.00 0.58 -4.93 118.95 117.32 2qba s ARG 88 Ca 0.57 -1.83 -0.30 0.00 0.00 0.00 0.00 55.73 54.17 2qba s ARG 88 Cb -0.48 -0.59 -0.11 0.00 0.00 0.00 0.00 34.95 33.77 2qba s ARG 88 CO 0.59 -0.22 1.51 0.00 0.00 0.00 0.00 175.30 177.18 2qba s ALA 89 N -3.50 3.67 -0.58 2.13 0.00 -1.26 -2.84 121.76 119.38 2qba s ALA 89 Ca 0.36 1.48 -0.02 0.00 0.00 0.00 0.00 51.96 53.78 2qba s ALA 89 Cb 0.08 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2qba s ALA 89 CO 0.14 -0.90 0.23 1.63 0.00 0.00 0.00 175.76 176.86 2qba n LYS 90 N 1.84 -1.84 -1.90 0.00 5.02 -1.26 -3.65 118.16 116.36 2qba n LYS 90 Ca 0.06 0.34 -0.12 0.00 -2.02 0.00 0.00 58.31 56.57 2qba n LYS 90 Cb 0.39 -4.01 -0.02 0.00 -0.02 0.00 0.00 35.03 31.37 2qba n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qba n GLY 91 N -1.03 0.40 3.93 0.72 0.00 -1.16 -5.02 105.19 103.01 2qba n GLY 91 Ca -0.04 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 2qba n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qba s ARG 92 N -4.01 3.52 0.30 1.61 0.52 -1.13 -4.90 118.95 114.86 2qba s ARG 92 Ca 0.00 -0.33 0.07 0.00 -0.52 0.00 0.00 55.73 54.94 2qba s ARG 92 Cb 0.00 -2.84 -0.06 0.00 0.52 0.00 0.00 34.95 32.57 2qba s ARG 92 CO 0.00 0.40 -0.05 0.00 0.02 0.00 0.00 175.30 175.68 2qba s ALA 93 N -1.86 2.44 0.00 2.13 0.00 -1.26 0.22 121.76 123.43 2qba s ALA 93 Ca 0.38 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.39 2qba s ALA 93 Cb -0.11 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 2qba s ALA 93 CO 0.29 -0.08 -0.01 -0.51 0.00 0.00 0.00 175.76 175.45 2qba s ASP 94 N -3.47 0.05 0.13 0.00 1.01 -0.68 -4.90 116.67 108.81 2qba s ASP 94 Ca 0.31 -0.09 -0.30 0.00 0.71 0.00 0.00 52.55 53.17 2qba s ASP 94 Cb 0.04 0.02 -0.07 0.00 1.01 0.00 0.00 42.92 43.92 2qba s ASP 94 CO 0.13 -0.06 1.57 -0.09 0.21 0.00 0.00 175.17 176.93 2qba h ARG 95 N 5.87 -0.45 -4.79 8.23 9.65 -1.91 -2.20 114.38 128.77 2qba h ARG 95 Ca -0.25 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 2qba h ARG 95 Cb 1.21 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.88 2qba h ARG 95 CO 0.49 -0.30 -0.38 1.51 2.80 0.00 0.00 179.97 184.09 2qba n ILE 96 N -5.42 -4.44 -3.88 1.20 3.06 -1.26 -3.05 119.36 105.57 2qba n ILE 96 Ca -0.04 0.96 -0.35 0.00 -2.50 0.00 0.00 62.75 60.83 2qba n ILE 96 Cb 0.36 -3.25 -0.09 0.00 0.54 0.00 0.00 39.64 37.21 2qba n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2qba s LEU 97 N -0.20 4.02 -0.99 9.51 2.01 -1.26 -2.79 118.68 128.98 2qba s LEU 97 Ca -0.03 0.17 -0.02 0.00 0.01 0.00 0.00 54.13 54.26 2qba s LEU 97 Cb 0.00 -2.02 0.31 0.00 0.01 0.00 0.00 46.19 44.49 2qba s LEU 97 CO 0.09 0.19 1.52 0.29 1.01 0.00 0.00 176.35 179.45 2qba n LYS 98 N 3.42 4.61 -1.63 1.70 5.02 0.14 -4.89 118.16 126.52 2qba n LYS 98 Ca -0.17 -4.63 -0.39 0.00 -2.02 0.00 0.00 58.31 51.10 2qba n LYS 98 Cb 0.52 -2.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.11 2qba n LYS 98 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2qba n ARG 99 N 0.66 1.25 -4.24 1.97 1.85 -1.26 -1.55 116.66 115.34 2qba n ARG 99 Ca 0.34 0.46 -0.26 0.00 -1.00 0.00 0.00 57.85 57.40 2qba n ARG 99 Cb 0.31 -2.18 -0.08 0.00 -1.05 0.00 0.00 32.46 29.47 2qba n ARG 99 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2qba s THR 100 N -1.38 2.20 0.27 8.89 -4.23 -1.25 -3.93 115.64 116.22 2qba s THR 100 Ca 0.69 -1.76 0.09 0.00 -1.18 0.00 0.00 61.69 59.52 2qba s THR 100 Cb -0.48 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 70.35 2qba s THR 100 CO 0.52 0.00 -0.12 -0.44 -0.54 0.00 0.00 174.62 174.05 2qba s SER 101 N -3.87 3.09 -0.53 3.99 0.01 -0.29 -1.42 113.70 114.68 2qba s SER 101 Ca 0.39 -1.12 0.07 0.00 1.31 0.00 0.00 55.95 56.60 2qba s SER 101 Cb 0.05 -0.23 0.24 0.00 0.21 0.00 0.00 66.02 66.29 2qba s SER 101 CO 0.21 -0.19 0.61 1.41 0.41 0.00 0.00 173.24 175.70 2qba n HIS 102 N -0.58 1.71 -1.78 2.43 8.25 -0.80 0.29 115.22 124.74 2qba n HIS 102 Ca -0.06 -3.87 -0.37 0.00 -0.26 0.00 0.00 57.72 53.15 2qba n HIS 102 Cb 0.62 -0.43 0.06 0.00 1.12 0.00 0.00 29.99 31.36 2qba n HIS 102 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qba s ILE 103 N -1.73 2.09 -0.28 1.59 1.01 -0.58 -2.81 121.20 120.49 2qba s ILE 103 Ca 0.36 0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.09 2qba s ILE 103 Cb 0.14 -3.03 0.16 0.00 0.01 0.00 0.00 42.46 39.74 2qba s ILE 103 CO -0.07 -0.01 0.44 -0.89 0.00 0.00 0.00 174.94 174.41 2qba s THR 104 N -1.37 -0.71 0.04 2.92 2.01 0.42 -1.03 115.64 117.92 2qba s THR 104 Ca 0.78 -0.17 -0.10 0.00 0.31 0.00 0.00 61.69 62.51 2qba s THR 104 Cb -0.38 -0.95 -0.06 0.00 0.01 0.00 0.00 72.50 71.12 2qba s THR 104 CO 0.42 -0.18 0.37 -0.69 -0.69 0.00 0.00 174.62 173.85 2qba s VAL 105 N 2.61 5.13 -0.35 3.82 1.01 -0.77 -2.14 120.40 129.71 2qba s VAL 105 Ca 0.12 0.49 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 2qba s VAL 105 Cb -0.13 -3.64 0.13 0.00 0.00 0.00 0.00 36.38 32.74 2qba s VAL 105 CO -0.25 0.38 0.19 -0.69 0.00 0.00 0.00 175.10 174.73 2qba s VAL 106 N -1.29 0.45 0.11 2.92 1.01 0.67 -2.56 120.40 121.69 2qba s VAL 106 Ca 0.29 -1.69 -0.17 0.00 0.00 0.00 0.00 61.98 60.41 2qba s VAL 106 Cb -0.14 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 2qba s VAL 106 CO 0.16 -0.89 0.57 0.54 0.00 0.00 0.00 175.10 175.47 2qba s VAL 107 N 1.16 4.79 0.00 2.92 0.11 -1.25 -1.44 120.40 126.69 2qba s VAL 107 Ca 0.16 1.05 0.00 0.00 -2.93 0.00 0.00 61.98 60.25 2qba s VAL 107 Cb -0.22 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 2qba s VAL 107 CO -0.08 0.40 0.00 -0.24 -3.33 0.00 0.00 175.10 171.85 2qba n SER 108 N 1.28 0.00 -0.06 3.54 2.88 0.18 -4.32 113.62 117.12 2qba n SER 108 Ca -0.08 -0.89 -0.06 0.00 -1.33 0.00 0.00 58.87 56.51 2qba n SER 108 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 2qba n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qba n ASP 109 N -1.95 1.33 0.00 -3.46 9.92 -1.23 -0.17 116.55 120.98 2qba n ASP 109 Ca 0.00 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 2qba n ASP 109 Cb 0.00 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 39.80 2qba n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19