#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqt s ASN 2 N 0.00 -0.13 -0.03 0.00 2.47 -1.26 -5.18 114.94 110.81 2oqt s ASN 2 Ca 0.00 0.51 -0.26 0.00 0.42 0.00 0.00 52.86 53.53 2oqt s ASN 2 Cb 0.00 0.42 -0.21 0.00 -1.45 0.00 0.00 41.25 40.02 2oqt s ASN 2 CO 0.00 -0.18 1.25 0.25 -3.72 0.00 0.00 177.10 174.70 2oqt h LEU 3 N 7.39 -0.00 0.07 3.21 5.85 -2.00 0.28 115.31 130.11 2oqt h LEU 3 Ca -0.36 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 57.87 2oqt h LEU 3 Cb 1.15 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 2oqt h LEU 3 CO 0.34 0.50 -0.18 0.50 -0.34 0.00 0.00 178.44 179.26 2oqt h LYS 4 N -0.50 -0.32 -0.43 1.25 3.11 -1.93 -0.87 116.57 116.87 2oqt h LYS 4 Ca -0.00 0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.92 2oqt h LYS 4 Cb 0.50 0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 31.75 2oqt h LYS 4 CO 0.00 -0.21 0.11 0.37 -2.81 0.00 0.00 179.45 176.91 2oqt h GLN 5 N -0.33 0.25 -0.87 1.90 5.75 -1.99 -0.68 115.11 119.14 2oqt h GLN 5 Ca 0.03 -0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.66 2oqt h GLN 5 Cb 0.37 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 28.77 2oqt h GLN 5 CO -0.12 0.17 0.47 0.00 -2.65 0.00 0.00 178.83 176.70 2oqt h ALA 6 N 1.31 1.32 -0.04 3.38 0.00 -0.04 0.49 119.26 125.67 2oqt h ALA 6 Ca 0.21 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 2oqt h ALA 6 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2oqt h ALA 6 CO -0.25 -0.04 -0.51 -0.07 0.00 0.00 0.00 179.25 178.38 2oqt h LEU 7 N 0.68 0.12 0.02 0.00 3.38 -0.55 -2.32 115.31 116.64 2oqt h LEU 7 Ca 0.47 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.31 2oqt h LEU 7 Cb 0.63 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.36 2oqt h LEU 7 CO -0.34 0.61 -0.27 0.40 0.09 0.00 0.00 178.44 178.92 2oqt h ILE 8 N 0.09 1.60 -0.04 1.22 2.04 0.24 -1.49 117.51 121.16 2oqt h ILE 8 Ca 0.00 -2.12 0.01 0.00 1.00 0.00 0.00 64.86 63.76 2oqt h ILE 8 Cb 0.94 2.97 -0.00 0.00 -0.74 0.00 0.00 36.82 39.98 2oqt h ILE 8 CO 0.07 0.57 0.04 0.44 0.00 0.00 0.00 178.15 179.28 2oqt h ASP 9 N -0.59 0.00 -0.01 1.72 3.45 -0.07 -2.07 116.42 118.84 2oqt h ASP 9 Ca -0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.42 2oqt h ASP 9 Cb 1.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 2oqt h ASP 9 CO 0.05 0.00 -0.33 0.59 -1.57 0.00 0.00 179.24 177.99 2oqt n ASN 10 N -4.00 1.62 -4.13 6.45 3.02 -0.88 -5.00 115.26 112.34 2oqt n ASN 10 Ca -0.02 -1.31 -0.30 0.00 -0.03 0.00 0.00 54.58 52.92 2oqt n ASN 10 Cb 0.13 0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 39.72 2oqt n ASN 10 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2oqt n ASN 11 N -0.12 -0.65 -1.02 6.41 5.03 -0.59 -4.77 115.26 119.56 2oqt n ASN 11 Ca 0.07 -1.09 0.08 0.00 0.87 0.00 0.00 54.58 54.50 2oqt n ASN 11 Cb 0.33 -2.53 0.26 0.00 -1.02 0.00 0.00 39.78 36.82 2oqt n ASN 11 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2oqt n SER 12 N -2.87 3.98 -4.73 6.41 3.41 -1.04 -4.94 113.62 113.84 2oqt n SER 12 Ca -0.22 -2.74 -0.40 0.00 -0.26 0.00 0.00 58.87 55.25 2oqt n SER 12 Cb 0.64 -0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 2oqt n SER 12 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2oqt s ILE 13 N -2.34 4.90 -0.04 -1.33 1.01 -1.26 -2.19 121.20 119.95 2oqt s ILE 13 Ca 0.40 1.63 0.02 0.00 0.00 0.00 0.00 60.65 62.70 2oqt s ILE 13 Cb 0.30 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2oqt s ILE 13 CO 0.13 0.28 -0.07 -0.13 0.00 0.00 0.00 174.94 175.15 2oqt s ARG 14 N 0.51 0.90 -0.16 2.79 1.81 0.40 -4.97 118.95 120.22 2oqt s ARG 14 Ca 0.41 -0.20 -0.01 0.00 -1.72 0.00 0.00 55.73 54.20 2oqt s ARG 14 Cb -0.19 -0.85 -0.01 0.00 -0.45 0.00 0.00 34.95 33.44 2oqt s ARG 14 CO 0.22 0.01 -0.11 -0.51 -0.68 0.00 0.00 175.30 174.23 2oqt s LEU 15 N 0.54 2.72 -1.29 2.53 1.43 -1.26 -1.41 118.68 121.94 2oqt s LEU 15 Ca -0.08 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 2oqt s LEU 15 Cb -0.11 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.48 2oqt s LEU 15 CO 0.01 0.10 1.00 0.61 0.23 0.00 0.00 176.35 178.29 2oqt n GLY 16 N 3.99 -0.41 3.76 -3.19 0.00 0.22 -4.94 105.19 104.62 2oqt n GLY 16 Ca -0.18 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2oqt n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oqt s LEU 17 N -6.76 1.72 -0.15 0.99 1.43 -0.57 -4.62 118.68 110.72 2oqt s LEU 17 Ca 0.22 0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 53.75 2oqt s LEU 17 Cb -0.10 -2.47 0.05 0.00 0.03 0.00 0.00 46.19 43.70 2oqt s LEU 17 CO 0.75 -3.32 0.38 -0.94 0.23 0.00 0.00 176.35 173.45 2oqt s SER 18 N -4.33 -0.44 0.01 2.29 1.04 -1.26 -1.15 113.70 109.86 2oqt s SER 18 Ca 0.71 0.80 0.02 0.00 0.48 0.00 0.00 55.95 57.96 2oqt s SER 18 Cb -0.08 0.73 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 2oqt s SER 18 CO 0.54 -0.17 -0.06 0.00 0.98 0.00 0.00 173.24 174.54 2oqt s ALA 19 N 0.98 0.46 -1.58 5.32 0.00 -1.26 -4.99 121.76 120.68 2oqt s ALA 19 Ca -0.06 -0.44 0.20 0.00 0.00 0.00 0.00 51.96 51.66 2oqt s ALA 19 Cb -0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 2oqt s ALA 19 CO -0.08 0.04 0.95 -0.25 0.00 0.00 0.00 175.76 176.42 2oqt n ASP 20 N 2.33 1.63 -4.38 0.00 9.92 -1.26 -4.53 116.55 120.25 2oqt n ASP 20 Ca -0.17 -1.31 -0.22 0.00 -0.53 0.00 0.00 54.79 52.56 2oqt n ASP 20 Cb 0.57 0.61 -0.11 0.00 -0.64 0.00 0.00 41.12 41.55 2oqt n ASP 20 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2oqt s THR 21 N -2.39 2.02 0.30 -3.53 -4.23 -1.26 -4.85 115.64 101.69 2oqt s THR 21 Ca 0.14 -2.14 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 2oqt s THR 21 Cb 0.16 -2.05 0.12 0.00 1.34 0.00 0.00 72.50 72.07 2oqt s THR 21 CO 0.58 -0.40 1.80 4.11 -0.54 0.00 0.00 174.62 180.17 2oqt h TRP 22 N 2.79 0.66 -0.86 3.99 5.08 -1.93 -0.45 115.95 125.23 2oqt h TRP 22 Ca -0.41 -0.09 -0.02 0.00 1.08 0.00 0.00 58.89 59.45 2oqt h TRP 22 Cb 1.22 -0.18 -0.04 0.00 -3.00 0.00 0.00 29.16 27.16 2oqt h TRP 22 CO 0.73 0.66 0.46 1.96 -1.28 0.00 0.00 178.44 180.96 2oqt h GLN 23 N 0.58 1.20 -0.72 0.12 7.50 -1.96 0.12 115.11 121.95 2oqt h GLN 23 Ca 0.12 -0.15 -0.03 0.00 0.50 0.00 0.00 58.65 59.09 2oqt h GLN 23 Cb 0.43 -0.23 -0.03 0.00 0.05 0.00 0.00 27.48 27.70 2oqt h GLN 23 CO 0.02 0.89 0.34 0.93 -1.50 0.00 0.00 178.83 179.51 2oqt h GLU 24 N 1.20 1.05 -0.46 1.46 5.08 -1.84 -1.67 114.58 119.39 2oqt h GLU 24 Ca 0.30 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2oqt h GLU 24 Cb 0.05 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2oqt h GLU 24 CO -0.05 0.83 0.10 0.00 -1.00 0.00 0.00 179.01 178.90 2oqt h ALA 25 N 1.16 0.61 -0.38 3.43 0.00 -0.66 -1.55 119.26 121.88 2oqt h ALA 25 Ca 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2oqt h ALA 25 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2oqt h ALA 25 CO -0.03 0.31 0.19 0.28 0.00 0.00 0.00 179.25 180.00 2oqt h VAL 26 N 0.62 1.16 -0.76 0.00 2.07 -0.69 0.28 116.25 118.94 2oqt h VAL 26 Ca 0.14 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2oqt h VAL 26 Cb 0.34 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2oqt h VAL 26 CO 0.00 0.17 0.49 -0.09 0.02 0.00 0.00 177.57 178.16 2oqt h ARG 27 N 0.47 0.93 -0.16 1.57 2.43 -1.13 0.76 114.38 119.25 2oqt h ARG 27 Ca 0.13 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 2oqt h ARG 27 Cb 0.10 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2oqt h ARG 27 CO -0.02 0.62 -0.55 -0.07 -1.51 0.00 0.00 179.97 178.44 2oqt h LEU 28 N 0.96 0.54 -0.81 3.80 3.38 -1.22 0.56 115.31 122.53 2oqt h LEU 28 Ca 0.30 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2oqt h LEU 28 Cb -0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2oqt h LEU 28 CO -0.10 0.98 0.14 0.00 0.09 0.00 0.00 178.44 179.55 2oqt h ALA 29 N 1.03 1.02 0.07 1.53 0.00 0.17 -3.19 119.26 119.88 2oqt h ALA 29 Ca 0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 54.91 54.39 2oqt h ALA 29 Cb 1.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2oqt h ALA 29 CO 0.10 0.64 -1.50 0.28 0.00 0.00 0.00 179.25 178.76 2oqt h VAL 30 N 0.98 1.15 -0.98 0.00 2.07 0.51 -3.38 116.25 116.60 2oqt h VAL 30 Ca 0.20 -2.87 0.34 0.00 0.82 0.00 0.00 66.70 65.20 2oqt h VAL 30 Cb 0.37 2.67 -0.17 0.00 -1.52 0.00 0.00 31.29 32.64 2oqt h VAL 30 CO 0.00 0.77 0.34 -0.61 0.02 0.00 0.00 177.57 178.10 2oqt h GLN 31 N 0.04 0.06 0.00 1.57 5.75 -0.87 0.25 115.11 121.92 2oqt h GLN 31 Ca -0.22 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 2oqt h GLN 31 Cb 1.97 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.51 2oqt h GLN 31 CO 0.13 0.04 0.04 -1.35 -2.65 0.00 0.00 178.83 175.04 2oqt h PRO 32 N 0.06 0.00 0.00 -2.39 0.11 -1.74 0.39 132.00 128.43 2oqt h PRO 32 Ca 0.72 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.80 2oqt h PRO 32 Cb 1.73 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.84 2oqt h PRO 32 CO -0.79 0.00 -1.62 1.28 -0.21 0.00 0.00 178.00 176.66 2oqt n LEU 33 N -2.98 0.38 0.04 2.35 4.32 0.88 -3.29 117.00 118.70 2oqt n LEU 33 Ca -0.03 0.15 -0.12 0.00 -0.02 0.00 0.00 56.01 55.99 2oqt n LEU 33 Cb 0.10 0.02 -0.09 0.00 -1.62 0.00 0.00 43.42 41.83 2oqt n LEU 33 CO 0.18 -0.02 0.52 0.40 -1.22 0.00 0.00 177.39 177.25 2oqt h ILE 34 N 0.00 1.07 0.00 -0.08 2.04 -1.13 -0.76 117.51 118.65 2oqt h ILE 34 Ca -0.05 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.73 2oqt h ILE 34 Cb 1.13 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2oqt h ILE 34 CO 0.01 0.25 0.11 0.47 0.00 0.00 0.00 178.15 178.98 2oqt n ASP 35 N -4.92 0.00 -0.00 1.72 8.00 0.01 -1.01 116.55 120.35 2oqt n ASP 35 Ca -0.08 0.18 0.05 0.00 0.71 0.00 0.00 54.79 55.64 2oqt n ASP 35 Cb 0.27 -0.18 -0.07 0.00 -0.02 0.00 0.00 41.12 41.12 2oqt n ASP 35 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2oqt n SER 36 N -1.10 1.36 0.00 -2.24 2.88 -1.17 -4.97 113.62 108.38 2oqt n SER 36 Ca 0.00 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 2oqt n SER 36 Cb 0.11 1.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.76 2oqt n SER 36 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2oqt n LYS 37 N -1.49 -0.34 -0.04 -1.46 4.76 -0.18 -4.88 118.16 114.53 2oqt n LYS 37 Ca 0.00 0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.41 2oqt n LYS 37 Cb 0.20 -3.65 0.01 0.00 -1.84 0.00 0.00 35.03 29.75 2oqt n LYS 37 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2oqt h ALA 38 N 0.00 0.60 -4.18 7.82 0.00 -1.58 -3.45 119.26 118.48 2oqt h ALA 38 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 54.91 54.11 2oqt h ALA 38 Cb 0.17 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2oqt h ALA 38 CO 0.00 0.68 -0.29 1.33 0.00 0.00 0.00 179.25 180.97 2oqt n VAL 39 N -3.99 0.00 -4.20 0.00 0.24 -0.37 -1.36 118.33 108.65 2oqt n VAL 39 Ca -0.03 -1.55 -0.19 0.00 -2.04 0.00 0.00 64.34 60.53 2oqt n VAL 39 Cb 0.60 0.78 -0.12 0.00 -1.47 0.00 0.00 33.84 33.64 2oqt n VAL 39 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2oqt s THR 40 N -2.86 1.21 -0.86 3.34 2.01 -0.72 -4.09 115.64 113.66 2oqt s THR 40 Ca 0.25 -1.41 0.01 0.00 0.31 0.00 0.00 61.69 60.86 2oqt s THR 40 Cb 0.01 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 71.32 2oqt s THR 40 CO 0.18 -0.25 1.00 -1.54 -0.69 0.00 0.00 174.62 173.32 2oqt n SER 41 N 1.11 0.03 -0.24 3.53 3.41 -1.26 -0.00 113.62 120.20 2oqt n SER 41 Ca -0.20 0.47 -0.06 0.00 -0.26 0.00 0.00 58.87 58.82 2oqt n SER 41 Cb 0.55 -0.48 0.04 0.00 -0.26 0.00 0.00 64.21 64.06 2oqt n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oqt h ALA 42 N 1.82 0.87 -0.18 7.33 0.00 -1.95 0.10 119.26 127.25 2oqt h ALA 42 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2oqt h ALA 42 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2oqt h ALA 42 CO 0.00 0.44 0.04 -0.92 0.00 0.00 0.00 179.25 178.81 2oqt h TYR 43 N 0.93 0.31 -0.47 0.00 3.20 -0.71 0.34 116.97 120.57 2oqt h TYR 43 Ca 0.23 -0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.15 2oqt h TYR 43 Cb 0.13 -0.09 -0.10 0.00 1.54 0.00 0.00 36.73 38.22 2oqt h TYR 43 CO 0.01 0.44 -0.32 -0.92 -1.64 0.00 0.00 178.16 175.72 2oqt h TYR 44 N 0.10 -0.89 -0.22 -3.82 3.20 -1.58 -0.04 116.97 113.71 2oqt h TYR 44 Ca 0.06 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2oqt h TYR 44 Cb 0.29 0.46 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2oqt h TYR 44 CO 0.01 -0.38 0.07 -0.44 -1.64 0.00 0.00 178.16 175.79 2oqt h ASP 45 N -0.21 0.28 -0.21 -2.11 3.45 -0.22 -2.41 116.42 114.99 2oqt h ASP 45 Ca 0.20 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.59 2oqt h ASP 45 Cb 0.54 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 2oqt h ASP 45 CO -0.59 0.27 -0.05 0.00 -1.57 0.00 0.00 179.24 177.30 2oqt h ALA 46 N 1.78 0.29 -0.37 3.45 0.00 0.63 -2.65 119.26 122.38 2oqt h ALA 46 Ca 0.08 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2oqt h ALA 46 Cb 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2oqt h ALA 46 CO -0.01 0.06 0.12 0.82 0.00 0.00 0.00 179.25 180.25 2oqt h ILE 47 N 0.13 0.87 -0.01 0.00 2.04 -0.54 -0.56 117.51 119.44 2oqt h ILE 47 Ca 0.05 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2oqt h ILE 47 Cb 0.49 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2oqt h ILE 47 CO 0.02 0.05 0.00 0.40 0.00 0.00 0.00 178.15 178.62 2oqt h ILE 48 N 0.26 1.06 -0.44 -0.67 1.08 -1.55 0.46 117.51 117.72 2oqt h ILE 48 Ca 0.17 -0.18 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 2oqt h ILE 48 Cb 0.16 1.18 -0.09 0.00 -3.07 0.00 0.00 36.82 35.00 2oqt h ILE 48 CO -0.19 0.05 -0.18 0.00 -0.69 0.00 0.00 178.15 177.14 2oqt h ALA 49 N 0.93 0.16 -0.37 1.87 0.00 -1.37 0.13 119.26 120.61 2oqt h ALA 49 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2oqt h ALA 49 Cb 0.08 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2oqt h ALA 49 CO -0.00 -0.53 0.20 0.77 0.00 0.00 0.00 179.25 179.69 2oqt h SER 50 N -0.09 0.47 -0.39 0.00 0.02 -0.60 -1.65 113.55 111.31 2oqt h SER 50 Ca 0.21 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2oqt h SER 50 Cb 0.42 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2oqt h SER 50 CO -0.50 0.42 0.17 0.74 -1.14 0.00 0.00 176.83 176.52 2oqt h THR 51 N 0.47 1.17 -0.20 -2.27 2.02 0.45 0.11 112.91 114.67 2oqt h THR 51 Ca 0.13 -0.55 -0.20 0.00 0.77 0.00 0.00 66.41 66.56 2oqt h THR 51 Cb 0.06 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2oqt h THR 51 CO -0.02 0.21 -0.66 -0.33 0.37 0.00 0.00 175.52 175.09 2oqt h GLU 52 N 0.63 0.74 -0.14 6.66 5.08 -0.45 0.17 114.58 127.28 2oqt h GLU 52 Ca 0.15 -0.54 -0.09 0.00 -1.00 0.00 0.00 59.36 57.88 2oqt h GLU 52 Cb 0.15 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2oqt h GLU 52 CO -0.01 1.16 -0.27 -0.22 -1.00 0.00 0.00 179.01 178.67 2oqt h LYS 53 N 0.54 0.42 -0.02 2.33 3.64 -1.02 -3.37 116.57 119.10 2oqt h LYS 53 Ca -0.02 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2oqt h LYS 53 Cb 1.27 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2oqt h LYS 53 CO 0.14 0.87 -0.14 0.66 -2.27 0.00 0.00 179.45 178.71 2oqt n TYR 54 N -4.43 0.00 -0.83 1.91 4.01 0.34 -5.10 117.16 113.07 2oqt n TYR 54 Ca -0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.70 2oqt n TYR 54 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.48 2oqt n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2oqt n GLY 55 N 1.02 -2.18 2.39 2.72 0.00 0.60 -4.42 105.19 105.33 2oqt n GLY 55 Ca 0.08 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 2oqt n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2oqt n PRO 56 N -1.25 3.69 0.10 1.61 -0.04 -1.26 -4.50 135.00 133.35 2oqt n PRO 56 Ca 0.00 -2.41 0.20 0.00 -0.04 0.00 0.00 63.50 61.25 2oqt n PRO 56 Cb 0.07 -2.85 0.74 0.00 -0.04 0.00 0.00 33.50 31.42 2oqt n PRO 56 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 2oqt h TYR 57 N 5.11 0.00 -0.31 0.54 -0.00 -1.91 -2.30 116.97 118.10 2oqt h TYR 57 Ca 0.81 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.54 2oqt h TYR 57 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.07 2oqt h TYR 57 CO 1.79 0.00 0.00 2.48 -0.00 0.00 0.00 178.16 182.43 2oqt n TYR 58 N -3.65 0.40 -2.82 0.10 4.11 -1.26 -4.76 117.16 109.27 2oqt n TYR 58 Ca 0.07 -0.20 -0.43 0.00 -0.00 0.00 0.00 57.90 57.34 2oqt n TYR 58 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.93 2oqt n TYR 58 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2oqt s VAL 59 N -1.60 4.26 -0.66 -3.48 1.01 -0.87 -4.58 120.40 114.48 2oqt s VAL 59 Ca 0.36 -0.19 0.26 0.00 0.00 0.00 0.00 61.98 62.40 2oqt s VAL 59 Cb 0.20 -4.69 0.30 0.00 0.00 0.00 0.00 36.38 32.18 2oqt s VAL 59 CO 0.29 -1.46 1.75 -0.07 0.00 0.00 0.00 175.10 175.61 2oqt h LEU 60 N 11.50 0.00 -9.34 3.92 4.07 -1.89 -3.49 115.31 120.07 2oqt h LEU 60 Ca -0.28 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.13 2oqt h LEU 60 Cb 1.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.80 2oqt h LEU 60 CO 1.18 0.00 0.75 -2.84 -1.08 0.00 0.00 178.44 176.45 2oqt s PRO 62 N -3.14 4.33 0.00 1.13 0.02 -1.26 -5.14 135.00 130.94 2oqt s PRO 62 Ca 0.10 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.91 2oqt s PRO 62 Cb 0.11 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 31.07 2oqt s PRO 62 CO 0.60 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 177.18 2oqt n GLY 63 N 3.47 0.93 0.00 0.52 0.00 0.58 -5.00 105.19 105.70 2oqt n GLY 63 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2oqt n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqt n ALA 65 N -1.80 0.00 -3.62 4.61 0.00 -0.44 -1.73 120.51 117.53 2oqt n ALA 65 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2oqt n ALA 65 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 2oqt n ALA 65 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2oqt s PRO 67 N 1.02 0.44 0.06 0.00 0.02 -1.25 -0.98 135.00 134.30 2oqt s PRO 67 Ca 0.00 0.80 -0.26 0.00 0.02 0.00 0.00 61.00 61.56 2oqt s PRO 67 Cb 0.00 0.15 0.08 0.00 0.02 0.00 0.00 34.50 34.76 2oqt s PRO 67 CO 0.00 -0.10 0.73 -3.38 -0.33 0.00 0.00 177.00 173.92 2oqt s HIS 68 N 1.57 -0.48 0.30 6.54 -3.43 -1.26 -0.65 115.29 117.86 2oqt s HIS 68 Ca -0.08 0.43 -0.10 0.00 -0.80 0.00 0.00 55.06 54.50 2oqt s HIS 68 Cb -0.04 0.52 0.04 0.00 -1.43 0.00 0.00 32.58 31.67 2oqt s HIS 68 CO -0.16 -0.68 0.58 0.00 -2.00 0.00 0.00 174.74 172.47 2oqt n ALA 69 N -0.08 -1.23 0.27 -1.38 0.00 -1.26 -4.80 120.51 112.03 2oqt n ALA 69 Ca -0.14 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2oqt n ALA 69 Cb 0.62 0.79 0.00 0.00 0.00 0.00 0.00 19.45 20.86 2oqt n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2oqt n GLU 70 N -0.41 0.15 0.00 0.00 4.07 -1.26 -4.80 120.64 118.39 2oqt n GLU 70 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 2oqt n GLU 70 Cb 0.45 -1.02 0.00 0.00 -0.06 0.00 0.00 31.44 30.81 2oqt n GLU 70 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2oqt n ALA 71 N -0.29 0.00 0.00 4.31 0.00 -1.26 -4.81 120.51 118.46 2oqt n ALA 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2oqt n ALA 71 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2oqt n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oqt n GLY 72 N -0.38 0.00 0.00 0.00 0.00 -1.26 -2.70 105.19 100.85 2oqt n GLY 72 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2oqt n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oqt n LEU 73 N 0.00 0.81 0.26 0.99 4.77 -1.26 -4.47 117.00 118.10 2oqt n LEU 73 Ca 0.00 -0.36 0.12 0.00 -0.03 0.00 0.00 56.01 55.74 2oqt n LEU 73 Cb 0.00 -0.03 0.73 0.00 -2.33 0.00 0.00 43.42 41.79 2oqt n LEU 73 CO 0.00 0.19 0.99 1.23 -1.33 0.00 0.00 177.39 178.48 2oqt h GLY 74 N 4.85 0.00 -7.44 -0.72 0.00 -1.84 -3.44 103.07 94.47 2oqt h GLY 74 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.62 2oqt h GLY 74 CO 0.00 0.00 -0.33 0.14 0.00 0.00 0.00 176.54 176.35 2oqt s VAL 75 N -4.36 5.18 -0.54 4.60 1.01 -1.11 -1.75 120.40 123.43 2oqt s VAL 75 Ca -0.03 -0.53 0.23 0.00 0.00 0.00 0.00 61.98 61.65 2oqt s VAL 75 Cb 0.14 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2oqt s VAL 75 CO 0.59 -0.36 1.09 0.59 0.00 0.00 0.00 175.10 177.01 2oqt n ASN 76 N 5.35 0.64 -3.52 3.32 5.03 -0.46 -4.92 115.26 120.70 2oqt n ASN 76 Ca -0.09 -0.03 -0.18 0.00 0.87 0.00 0.00 54.58 55.14 2oqt n ASN 76 Cb 0.47 0.61 -0.06 0.00 -1.02 0.00 0.00 39.78 39.78 2oqt n ASN 76 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2oqt s ARG 77 N -3.22 1.05 0.18 3.52 0.52 -1.06 -5.02 118.95 114.92 2oqt s ARG 77 Ca 0.03 0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 55.20 2oqt s ARG 77 Cb 0.13 0.50 -0.08 0.00 0.52 0.00 0.00 34.95 36.03 2oqt s ARG 77 CO 0.78 -0.33 1.07 -0.80 0.02 0.00 0.00 175.30 176.04 2oqt s ASN 78 N -1.18 7.33 0.15 0.23 0.01 -1.26 -4.50 114.94 115.72 2oqt s ASN 78 Ca -0.11 2.05 -0.22 0.00 -0.71 0.00 0.00 52.86 53.88 2oqt s ASN 78 Cb -0.00 -2.60 0.06 0.00 0.41 0.00 0.00 41.25 39.12 2oqt s ASN 78 CO 0.10 -0.16 0.56 0.00 -1.51 0.00 0.00 177.10 176.08 2oqt s ALA 79 N -0.35 -1.45 0.07 0.60 0.00 -0.45 -5.01 121.76 115.17 2oqt s ALA 79 Ca 0.48 0.38 0.10 0.00 0.00 0.00 0.00 51.96 52.91 2oqt s ALA 79 Cb -0.28 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2oqt s ALA 79 CO 0.34 -0.74 -0.26 -0.06 0.00 0.00 0.00 175.76 175.05 2oqt s PHE 80 N -3.73 2.24 0.29 0.00 0.08 -1.26 -1.79 117.98 113.82 2oqt s PHE 80 Ca 0.01 -0.40 0.06 0.00 0.12 0.00 0.00 56.93 56.73 2oqt s PHE 80 Cb -0.00 -1.30 -0.06 0.00 -0.57 0.00 0.00 43.02 41.09 2oqt s PHE 80 CO -0.12 0.19 -0.04 0.00 -0.10 0.00 0.00 175.22 175.14 2oqt s ALA 81 N -0.90 2.41 -0.21 5.36 0.00 -0.87 -4.35 121.76 123.21 2oqt s ALA 81 Ca 0.12 -1.95 -0.07 0.00 0.00 0.00 0.00 51.96 50.06 2oqt s ALA 81 Cb -0.10 0.24 0.10 0.00 0.00 0.00 0.00 23.12 23.36 2oqt s ALA 81 CO 0.03 -0.10 0.43 -1.17 0.00 0.00 0.00 175.76 174.95 2oqt s LEU 82 N -3.47 -0.68 0.08 0.00 2.96 -0.93 -2.70 118.68 113.94 2oqt s LEU 82 Ca 0.31 0.95 0.05 0.00 -0.22 0.00 0.00 54.13 55.22 2oqt s LEU 82 Cb 0.05 1.39 -0.03 0.00 0.50 0.00 0.00 46.19 48.10 2oqt s LEU 82 CO 0.13 -0.24 -0.14 0.27 -1.32 0.00 0.00 176.35 175.05 2oqt s ILE 83 N 2.63 1.13 -0.12 6.68 -5.25 -0.54 -0.46 121.20 125.27 2oqt s ILE 83 Ca -0.00 -1.36 0.02 0.00 -0.99 0.00 0.00 60.65 58.32 2oqt s ILE 83 Cb -0.12 -1.13 0.01 0.00 2.95 0.00 0.00 42.46 44.17 2oqt s ILE 83 CO -0.13 -0.26 -0.18 -0.89 -1.79 0.00 0.00 174.94 171.68 2oqt s THR 84 N -1.40 1.75 0.25 8.37 2.01 -0.50 -1.21 115.64 124.91 2oqt s THR 84 Ca -0.01 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.18 2oqt s THR 84 Cb -0.09 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2oqt s THR 84 CO 0.02 0.49 0.46 -0.76 -0.69 0.00 0.00 174.62 174.15 2oqt s LEU 85 N 0.86 4.14 0.31 4.42 1.43 0.09 -0.61 118.68 129.32 2oqt s LEU 85 Ca -0.08 0.49 0.19 0.00 -1.03 0.00 0.00 54.13 53.70 2oqt s LEU 85 Cb -0.15 -3.29 0.14 0.00 0.03 0.00 0.00 46.19 42.92 2oqt s LEU 85 CO -0.01 -0.13 1.39 0.74 0.23 0.00 0.00 176.35 178.57 2oqt h THR 86 N 1.34 0.37 -2.09 5.49 2.02 -1.39 -3.44 112.91 115.20 2oqt h THR 86 Ca -0.48 -1.55 0.04 0.00 0.77 0.00 0.00 66.41 65.19 2oqt h THR 86 Cb 1.20 2.09 -0.21 0.00 -1.74 0.00 0.00 68.15 69.48 2oqt h THR 86 CO 0.66 0.21 -0.13 -0.75 0.37 0.00 0.00 175.52 175.88 2oqt s LYS 87 N -3.11 0.57 -0.41 6.66 2.20 -1.26 -5.12 119.74 119.28 2oqt s LYS 87 Ca 0.04 1.32 -0.27 0.00 -0.36 0.00 0.00 55.97 56.70 2oqt s LYS 87 Cb 0.07 0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 36.95 2oqt s LYS 87 CO 0.73 -0.19 2.05 -1.25 -0.36 0.00 0.00 175.35 176.33 2oqt s PRO 88 N 2.49 2.83 0.34 4.03 0.04 -1.26 -4.72 135.00 138.75 2oqt s PRO 88 Ca -0.07 1.37 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 2oqt s PRO 88 Cb -0.10 -4.37 -0.12 0.00 0.04 0.00 0.00 34.50 29.94 2oqt s PRO 88 CO -0.18 -2.45 1.29 0.28 0.04 0.00 0.00 177.00 175.97 2oqt n VAL 89 N 7.59 1.99 -3.73 -0.36 0.31 -1.12 -4.75 118.33 118.26 2oqt n VAL 89 Ca 0.27 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.74 2oqt n VAL 89 Cb 0.50 -1.57 -0.06 0.00 -0.91 0.00 0.00 33.84 31.79 2oqt n VAL 89 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2oqt s THR 90 N -1.08 5.35 0.63 2.52 2.01 -1.26 -1.17 115.64 122.63 2oqt s THR 90 Ca 0.56 0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.99 2oqt s THR 90 Cb -0.57 -3.52 0.09 0.00 0.01 0.00 0.00 72.50 68.51 2oqt s THR 90 CO 0.62 0.57 0.87 -0.36 -0.69 0.00 0.00 174.62 175.62 2oqt s PHE 91 N -0.74 1.95 0.00 4.92 0.08 -0.36 -4.21 117.98 119.63 2oqt s PHE 91 Ca 0.17 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.91 2oqt s PHE 91 Cb -0.13 -2.73 0.00 0.00 -0.57 0.00 0.00 43.02 39.59 2oqt s PHE 91 CO 0.06 -1.29 0.01 -1.13 -0.10 0.00 0.00 175.22 172.76 2oqt n SER 92 N -2.52 0.02 -2.15 1.36 3.41 -1.26 -1.86 113.62 110.61 2oqt n SER 92 Ca 0.13 -0.45 -0.02 0.00 -0.26 0.00 0.00 58.87 58.27 2oqt n SER 92 Cb 0.60 -0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.60 2oqt n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2oqt n ASP 93 N 1.44 -0.80 0.00 4.04 5.75 -1.26 -4.88 116.55 120.84 2oqt n ASP 93 Ca 0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 2oqt n ASP 93 Cb 0.00 0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 2oqt n ASP 93 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2oqt n GLY 94 N -0.63 0.24 3.63 6.12 0.00 -0.78 -4.93 105.19 108.84 2oqt n GLY 94 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2oqt n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqt s LYS 95 N -1.08 4.02 0.07 1.61 1.02 -1.26 -4.81 119.74 119.32 2oqt s LYS 95 Ca 0.00 0.94 -0.28 0.00 0.02 0.00 0.00 55.97 56.65 2oqt s LYS 95 Cb 0.00 -3.74 -0.05 0.00 -0.52 0.00 0.00 37.83 33.51 2oqt s LYS 95 CO 0.00 -0.88 0.88 -1.21 -0.92 0.00 0.00 175.35 173.23 2oqt s GLU 96 N 3.53 4.60 -0.06 1.68 0.41 -1.26 -1.22 118.70 126.38 2oqt s GLU 96 Ca 0.43 1.29 0.01 0.00 -0.41 0.00 0.00 54.97 56.29 2oqt s GLU 96 Cb -0.12 -3.38 0.02 0.00 -1.78 0.00 0.00 34.13 28.86 2oqt s GLU 96 CO 0.15 0.22 -0.08 0.08 -0.49 0.00 0.00 175.26 175.13 2oqt s VAL 97 N 0.08 0.88 -0.02 2.63 1.01 -0.32 -0.31 120.40 124.35 2oqt s VAL 97 Ca 0.44 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2oqt s VAL 97 Cb -0.22 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 2oqt s VAL 97 CO 0.27 0.31 0.06 -1.20 0.00 0.00 0.00 175.10 174.53 2oqt n SER 98 N 4.06 4.14 -4.30 3.32 7.64 -0.78 -2.78 113.62 124.92 2oqt n SER 98 Ca -0.22 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.35 2oqt n SER 98 Cb 0.51 0.95 -0.16 0.00 -1.01 0.00 0.00 64.21 64.50 2oqt n SER 98 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2oqt s VAL 99 N -2.19 2.12 -0.19 0.44 1.01 -0.70 -0.73 120.40 120.15 2oqt s VAL 99 Ca -0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 2oqt s VAL 99 Cb 0.02 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.70 2oqt s VAL 99 CO 0.15 0.57 0.01 -0.76 0.00 0.00 0.00 175.10 175.08 2oqt s LEU 100 N -0.38 1.33 -0.82 3.92 1.02 -0.35 -1.33 118.68 122.08 2oqt s LEU 100 Ca 0.03 -0.79 -0.10 0.00 0.02 0.00 0.00 54.13 53.29 2oqt s LEU 100 Cb -0.12 -0.68 0.21 0.00 0.02 0.00 0.00 46.19 45.62 2oqt s LEU 100 CO 0.02 -0.28 0.73 -0.22 0.02 0.00 0.00 176.35 176.62 2oqt s LEU 101 N 1.79 6.24 0.43 1.79 0.20 -0.16 -1.47 118.68 127.51 2oqt s LEU 101 Ca -0.01 -2.92 -0.26 0.00 0.69 0.00 0.00 54.13 51.63 2oqt s LEU 101 Cb -0.17 -2.10 -0.09 0.00 -0.43 0.00 0.00 46.19 43.41 2oqt s LEU 101 CO -0.07 -0.46 1.39 -0.89 -0.29 0.00 0.00 176.35 176.03 2oqt s THR 102 N -0.19 2.25 -0.09 3.68 2.01 -1.10 -3.88 115.64 118.31 2oqt s THR 102 Ca 0.20 0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.45 2oqt s THR 102 Cb -0.12 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.26 2oqt s THR 102 CO -0.08 0.03 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.47 2oqt s LEU 103 N -2.59 1.93 -0.10 4.42 2.96 0.17 -2.04 118.68 123.43 2oqt s LEU 103 Ca 0.59 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2oqt s LEU 103 Cb -0.42 -1.22 0.01 0.00 0.50 0.00 0.00 46.19 45.06 2oqt s LEU 103 CO 0.54 0.11 -0.20 0.00 -1.32 0.00 0.00 176.35 175.48 2oqt s ALA 104 N 0.52 1.96 -0.03 5.97 0.00 -0.74 -4.44 121.76 125.01 2oqt s ALA 104 Ca -0.16 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 2oqt s ALA 104 Cb -0.17 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.15 2oqt s ALA 104 CO 0.06 0.14 0.19 0.00 0.00 0.00 0.00 175.76 176.15 2oqt s ALA 105 N 0.58 -0.45 0.08 0.00 0.00 -1.26 -1.34 121.76 119.36 2oqt s ALA 105 Ca -0.14 0.20 0.26 0.00 0.00 0.00 0.00 51.96 52.28 2oqt s ALA 105 Cb -0.17 -0.07 0.94 0.00 0.00 0.00 0.00 23.12 23.83 2oqt s ALA 105 CO 0.04 -0.17 1.83 1.79 0.00 0.00 0.00 175.76 179.25 2oqt h THR 106 N 4.43 0.41 -2.52 0.00 1.35 -1.91 -3.37 112.91 111.30 2oqt h THR 106 Ca -0.29 -1.03 -0.60 0.00 -0.55 0.00 0.00 66.41 63.95 2oqt h THR 106 Cb 1.19 1.75 -0.40 0.00 -1.73 0.00 0.00 68.15 68.97 2oqt h THR 106 CO 0.39 0.17 -0.82 0.47 -0.25 0.00 0.00 175.52 175.49 2oqt n ASP 107 N -3.30 1.30 -0.24 5.36 10.43 -1.26 -4.97 116.55 123.87 2oqt n ASP 107 Ca 0.01 -2.83 0.04 0.00 2.57 0.00 0.00 54.79 54.57 2oqt n ASP 107 Cb 0.42 -0.65 0.15 0.00 1.84 0.00 0.00 41.12 42.89 2oqt n ASP 107 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 2oqt h PRO 108 N 5.12 0.18 0.00 -0.24 0.11 -1.88 -0.74 132.00 134.54 2oqt h PRO 108 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2oqt h PRO 108 Cb 0.82 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2oqt h PRO 108 CO 0.56 0.12 0.00 0.45 -0.21 0.00 0.00 178.00 178.91 2oqt n SER 109 N -5.24 0.00 -0.13 -2.05 2.88 -1.26 -2.30 113.62 105.52 2oqt n SER 109 Ca 0.12 0.38 -0.28 0.00 -1.33 0.00 0.00 58.87 57.77 2oqt n SER 109 Cb 0.43 -0.44 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2oqt n SER 109 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2oqt n ILE 110 N -1.44 1.53 0.16 2.46 2.08 -0.42 -4.65 119.36 119.08 2oqt n ILE 110 Ca 0.04 -0.32 0.03 0.00 0.56 0.00 0.00 62.75 63.06 2oqt n ILE 110 Cb 0.14 -1.93 0.23 0.00 -0.75 0.00 0.00 39.64 37.33 2oqt n ILE 110 CO 0.00 0.00 0.00 0.45 0.56 0.00 0.00 176.55 177.56 2oqt h HIS 111 N -1.00 0.00 0.01 1.39 3.86 -0.98 -2.02 115.15 116.40 2oqt h HIS 111 Ca -0.63 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.58 2oqt h HIS 111 Cb 1.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.02 2oqt h HIS 111 CO -0.10 0.48 -0.00 1.79 0.86 0.00 0.00 177.93 180.96 2oqt h THR 112 N 0.00 1.17 -0.28 2.45 1.35 -1.73 -0.67 112.91 115.20 2oqt h THR 112 Ca -0.00 -0.51 0.05 0.00 -0.55 0.00 0.00 66.41 65.40 2oqt h THR 112 Cb 1.06 1.51 -0.05 0.00 -1.73 0.00 0.00 68.15 68.95 2oqt h THR 112 CO 0.06 0.13 -0.04 0.74 -0.25 0.00 0.00 175.52 176.16 2oqt h THR 113 N -0.23 0.74 -0.71 6.82 2.02 -1.78 -2.43 112.91 117.34 2oqt h THR 113 Ca -0.00 -0.01 0.12 0.00 0.77 0.00 0.00 66.41 67.29 2oqt h THR 113 Cb 0.22 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 67.26 2oqt h THR 113 CO 0.00 0.01 0.30 0.58 0.37 0.00 0.00 175.52 176.78 2oqt h VAL 114 N 0.03 0.74 0.00 3.16 2.07 -1.17 -2.62 116.25 118.45 2oqt h VAL 114 Ca 0.14 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2oqt h VAL 114 Cb 0.20 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2oqt h VAL 114 CO -0.27 0.09 -0.10 0.00 0.02 0.00 0.00 177.57 177.31 2oqt h ALA 115 N 1.49 1.19 -0.16 1.67 0.00 -0.63 -3.37 119.26 119.45 2oqt h ALA 115 Ca 0.37 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 2oqt h ALA 115 Cb 0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2oqt h ALA 115 CO -0.34 0.12 -0.54 0.82 0.00 0.00 0.00 179.25 179.31 2oqt h ILE 116 N 0.00 1.33 -0.96 0.00 2.04 -1.29 -2.29 117.51 116.34 2oqt h ILE 116 Ca -0.00 -1.79 0.05 0.00 1.00 0.00 0.00 64.86 64.12 2oqt h ILE 116 Cb 0.35 1.79 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 2oqt h ILE 116 CO 0.01 0.55 0.63 -0.65 0.00 0.00 0.00 178.15 178.69 2oqt h PRO 117 N 0.37 1.13 -0.30 2.37 0.11 -1.78 -1.54 132.00 132.36 2oqt h PRO 117 Ca 0.01 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2oqt h PRO 117 Cb 1.06 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2oqt h PRO 117 CO 0.10 0.75 0.07 1.96 -0.21 0.00 0.00 178.00 180.66 2oqt h GLN 118 N 1.16 0.48 -0.55 1.05 4.20 -1.71 0.41 115.11 120.17 2oqt h GLN 118 Ca 0.40 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 59.02 2oqt h GLN 118 Cb 0.09 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 2oqt h GLN 118 CO -0.14 0.56 0.32 0.82 -0.67 0.00 0.00 178.83 179.72 2oqt h ILE 119 N 0.32 1.03 -0.05 2.54 5.03 -1.44 -0.46 117.51 124.48 2oqt h ILE 119 Ca 0.09 -0.21 -0.00 0.00 -0.12 0.00 0.00 64.86 64.62 2oqt h ILE 119 Cb 0.30 0.35 -0.00 0.00 -3.03 0.00 0.00 36.82 34.44 2oqt h ILE 119 CO 0.00 0.11 0.01 0.58 -0.68 0.00 0.00 178.15 178.18 2oqt h VAL 120 N 0.62 1.17 -0.72 1.67 2.07 -1.04 -1.52 116.25 118.50 2oqt h VAL 120 Ca 0.23 -0.52 0.14 0.00 0.82 0.00 0.00 66.70 67.37 2oqt h VAL 120 Cb 0.06 1.43 -0.14 0.00 -1.52 0.00 0.00 31.29 31.13 2oqt h VAL 120 CO -0.12 0.14 -0.21 0.00 0.02 0.00 0.00 177.57 177.41 2oqt h ALA 121 N 0.81 0.41 0.26 1.67 0.00 0.30 -1.68 119.26 121.04 2oqt h ALA 121 Ca 0.02 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2oqt h ALA 121 Cb 0.21 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2oqt h ALA 121 CO -0.00 -0.45 -0.13 1.25 0.00 0.00 0.00 179.25 179.92 2oqt h LEU 122 N -0.02 -0.30 0.00 0.00 5.85 -0.80 -3.20 115.31 116.83 2oqt h LEU 122 Ca 0.34 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2oqt h LEU 122 Cb 0.54 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2oqt h LEU 122 CO -0.75 -0.12 0.00 0.49 -0.34 0.00 0.00 178.44 177.72 2oqt n PHE 123 N -5.20 0.00 0.11 1.25 3.72 -0.60 -2.38 117.46 114.37 2oqt n PHE 123 Ca -0.10 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.41 2oqt n PHE 123 Cb 0.20 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.58 2oqt n PHE 123 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2oqt n GLU 124 N -0.72 0.58 -1.55 -1.08 0.28 -0.67 -4.78 120.64 112.71 2oqt n GLU 124 Ca 0.09 -0.16 -0.41 0.00 -0.16 0.00 0.00 57.16 56.52 2oqt n GLU 124 Cb 0.04 -1.53 0.01 0.00 1.43 0.00 0.00 31.44 31.39 2oqt n GLU 124 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2oqt n LEU 125 N -2.20 1.70 -4.68 -1.84 4.77 -1.00 -4.88 117.00 108.87 2oqt n LEU 125 Ca -0.03 0.98 -0.45 0.00 -0.03 0.00 0.00 56.01 56.49 2oqt n LEU 125 Cb 0.54 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 2oqt n LEU 125 CO 0.45 -2.01 1.09 0.47 -1.33 0.00 0.00 177.39 176.06 2oqt n ASP 126 N 0.72 2.99 -3.76 -1.43 9.92 -1.26 -3.06 116.55 120.68 2oqt n ASP 126 Ca 0.11 1.13 -0.27 0.00 -0.53 0.00 0.00 54.79 55.22 2oqt n ASP 126 Cb 0.39 -1.45 0.05 0.00 -0.64 0.00 0.00 41.12 39.48 2oqt n ASP 126 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2oqt n ASN 127 N 2.50 -5.48 0.02 -2.24 3.02 -1.26 -4.89 115.26 106.92 2oqt n ASN 127 Ca 0.13 -0.66 -0.12 0.00 -0.03 0.00 0.00 54.58 53.89 2oqt n ASN 127 Cb 0.31 -4.45 -0.08 0.00 -0.61 0.00 0.00 39.78 34.95 2oqt n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oqt h ALA 128 N 0.99 0.00 0.47 5.41 0.00 -1.84 -0.07 119.26 124.22 2oqt h ALA 128 Ca -0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 2oqt h ALA 128 Cb 1.37 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2oqt h ALA 128 CO 0.62 -0.40 -0.35 0.82 0.00 0.00 0.00 179.25 179.94 2oqt h ILE 129 N -0.19 0.00 -0.72 0.00 5.03 -1.90 0.14 117.51 119.86 2oqt h ILE 129 Ca 0.00 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 64.90 2oqt h ILE 129 Cb 0.20 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 33.86 2oqt h ILE 129 CO -0.00 0.00 0.03 -0.33 -0.68 0.00 0.00 178.15 177.17 2oqt h GLU 130 N -0.78 0.12 0.51 2.37 3.07 -1.97 0.77 114.58 118.67 2oqt h GLU 130 Ca -0.06 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.77 2oqt h GLU 130 Cb 0.65 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 2oqt h GLU 130 CO 0.03 0.08 -0.42 0.00 -1.40 0.00 0.00 179.01 177.30 2oqt h ARG 131 N 0.13 -0.87 -0.54 2.33 3.08 -0.60 0.02 114.38 117.93 2oqt h ARG 131 Ca 0.40 0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.58 2oqt h ARG 131 Cb 0.69 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 30.84 2oqt h ARG 131 CO -0.61 -0.58 -0.50 -0.07 -1.07 0.00 0.00 179.97 177.14 2oqt h LEU 132 N -0.90 -1.71 -0.90 3.04 -0.00 0.48 -0.44 115.31 114.88 2oqt h LEU 132 Ca -0.07 0.25 0.21 0.00 -0.00 0.00 0.00 57.88 58.27 2oqt h LEU 132 Cb 0.76 0.74 -0.17 0.00 -0.00 0.00 0.00 40.66 41.99 2oqt h LEU 132 CO -0.00 -0.36 -0.09 0.58 -0.00 0.00 0.00 178.44 178.57 2oqt h VAL 133 N -0.28 0.13 -0.03 1.22 2.07 -0.78 -1.56 116.25 117.01 2oqt h VAL 133 Ca 0.13 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2oqt h VAL 133 Cb 0.57 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2oqt h VAL 133 CO -0.67 0.00 0.00 0.00 0.02 0.00 0.00 177.57 176.93 2oqt n ALA 134 N -3.25 2.62 -1.98 1.67 0.00 -0.02 -4.83 120.51 114.72 2oqt n ALA 134 Ca 0.17 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 2oqt n ALA 134 Cb 0.56 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 2oqt n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oqt h GLN 136 N 6.39 0.00 -7.10 0.00 7.50 -1.88 -3.47 115.11 116.55 2oqt h GLN 136 Ca -0.43 0.00 -0.51 0.00 0.50 0.00 0.00 58.65 58.21 2oqt h GLN 136 Cb 1.21 0.00 0.08 0.00 0.05 0.00 0.00 27.48 28.82 2oqt h GLN 136 CO 0.87 0.00 0.43 -1.12 -1.50 0.00 0.00 178.83 177.51 2oqt s SER 137 N -3.33 5.58 0.05 1.46 0.01 -1.26 -4.94 113.70 111.26 2oqt s SER 137 Ca -0.00 2.17 0.15 0.00 1.31 0.00 0.00 55.95 59.58 2oqt s SER 137 Cb 0.00 -2.58 0.62 0.00 0.21 0.00 0.00 66.02 64.27 2oqt s SER 137 CO 0.00 -1.32 1.46 -2.65 0.41 0.00 0.00 173.24 171.14 2oqt n PRO 138 N -1.49 0.03 0.09 12.44 -0.02 -1.26 -2.46 135.00 142.33 2oqt n PRO 138 Ca 0.12 0.31 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 2oqt n PRO 138 Cb 0.51 -1.57 -0.08 0.00 -0.02 0.00 0.00 33.50 32.34 2oqt n PRO 138 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2oqt h LYS 139 N 0.00 -0.20 -0.89 -0.52 3.64 -1.99 -2.59 116.57 114.01 2oqt h LYS 139 Ca 0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 2oqt h LYS 139 Cb 0.24 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.03 2oqt h LYS 139 CO 0.00 0.05 0.58 0.93 -2.27 0.00 0.00 179.45 178.74 2oqt h GLU 140 N -0.44 0.79 0.10 1.90 5.08 -1.87 -1.75 114.58 118.40 2oqt h GLU 140 Ca -0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2oqt h GLU 140 Cb 0.35 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2oqt h GLU 140 CO 0.04 0.52 -0.05 0.28 -1.00 0.00 0.00 179.01 178.80 2oqt h VAL 141 N 0.82 1.00 -0.00 3.13 2.07 -1.55 -3.12 116.25 118.59 2oqt h VAL 141 Ca 0.43 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2oqt h VAL 141 Cb 0.52 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2oqt h VAL 141 CO -0.19 0.09 -0.05 0.00 0.02 0.00 0.00 177.57 177.43 2oqt n LEU 142 N -5.07 0.11 -1.71 2.57 -0.00 -0.92 -1.51 117.00 110.46 2oqt n LEU 142 Ca -0.08 0.29 -0.11 0.00 -0.00 0.00 0.00 56.01 56.11 2oqt n LEU 142 Cb 0.14 -0.33 0.03 0.00 -0.00 0.00 0.00 43.42 43.26 2oqt n LEU 142 CO 0.33 0.02 1.08 -0.62 -0.00 0.00 0.00 177.39 178.21 2oqt n GLU 143 N -1.31 1.54 0.00 1.47 -0.58 -0.70 -0.81 120.64 120.24 2oqt n GLU 143 Ca 0.11 -1.08 0.00 0.00 -0.42 0.00 0.00 57.16 55.78 2oqt n GLU 143 Cb 0.28 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 2oqt n GLU 143 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2oqt n VAL 145 N 0.56 0.00 -0.13 2.62 0.31 -0.57 -1.22 118.33 119.90 2oqt n VAL 145 Ca 0.21 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.49 2oqt n VAL 145 Cb 0.62 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.57 2oqt n VAL 145 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2oqt h GLU 146 N 0.00 -0.01 -0.63 5.55 4.57 -1.24 -2.63 114.58 120.18 2oqt h GLU 146 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2oqt h GLU 146 Cb 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 2oqt h GLU 146 CO 0.00 -0.01 0.36 1.49 -1.18 0.00 0.00 179.01 179.67 2oqt h GLU 147 N -0.01 0.66 -1.82 1.92 4.81 -1.45 -1.54 114.58 117.15 2oqt h GLU 147 Ca 0.21 -0.04 0.55 0.00 -0.13 0.00 0.00 59.36 59.94 2oqt h GLU 147 Cb 0.33 -0.15 -0.09 0.00 0.63 0.00 0.00 28.75 29.47 2oqt h GLU 147 CO -0.45 0.44 1.29 0.43 -0.73 0.00 0.00 179.01 179.99 2oqt n SER 148 N -4.78 0.05 0.31 1.04 7.64 -1.00 -2.32 113.62 114.56 2oqt n SER 148 Ca 0.07 1.06 0.20 0.00 1.01 0.00 0.00 58.87 61.21 2oqt n SER 148 Cb 0.14 -0.53 0.95 0.00 -1.01 0.00 0.00 64.21 63.76 2oqt n SER 148 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2oqt h LYS 149 N 0.00 0.00 -0.14 1.43 1.57 -1.25 -0.15 116.57 118.02 2oqt h LYS 149 Ca 0.92 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.70 2oqt h LYS 149 Cb 3.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.84 2oqt h LYS 149 CO -0.11 0.01 0.00 -0.25 -0.57 0.00 0.00 179.45 178.53 2oqt n ASP 150 N -3.12 1.04 -4.72 0.86 8.00 -0.98 -4.82 116.55 112.80 2oqt n ASP 150 Ca -0.01 -1.76 -0.41 0.00 0.71 0.00 0.00 54.79 53.31 2oqt n ASP 150 Cb 0.19 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 2oqt n ASP 150 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2oqt s SER 151 N -1.33 7.34 0.28 -2.24 0.15 -0.07 -4.91 113.70 112.92 2oqt s SER 151 Ca 0.24 1.88 0.21 0.00 0.70 0.00 0.00 55.95 58.97 2oqt s SER 151 Cb 0.12 -2.59 1.04 0.00 -1.71 0.00 0.00 66.02 62.88 2oqt s SER 151 CO 0.18 -0.21 1.63 -2.65 1.20 0.00 0.00 173.24 173.39 2oqt n PRO 152 N 3.11 0.14 0.26 5.44 -0.02 -1.26 -0.02 135.00 142.66 2oqt n PRO 152 Ca 0.04 0.56 0.17 0.00 -2.02 0.00 0.00 63.50 62.25 2oqt n PRO 152 Cb 0.48 -1.90 0.89 0.00 -0.02 0.00 0.00 33.50 32.95 2oqt n PRO 152 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2oqt h TYR 153 N 0.00 0.00 -0.12 6.00 -1.99 -1.93 -2.96 116.97 115.97 2oqt h TYR 153 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2oqt h TYR 153 Cb 0.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.84 2oqt h TYR 153 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 2oqt n LEU 154 N -2.69 2.14 0.00 3.88 4.77 0.97 -4.91 117.00 121.16 2oqt n LEU 154 Ca -0.02 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 2oqt n LEU 154 Cb 0.11 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2oqt n LEU 154 CO 0.14 0.52 0.00 1.21 -1.33 0.00 0.00 177.39 177.93