#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqt n ASN 2 N 0.00 0.00 0.09 0.00 2.85 -1.26 -4.93 115.26 112.01 2oqt n ASN 2 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 2oqt n ASN 2 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 2oqt n ASN 2 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2oqt h LEU 3 N 0.00 -0.19 -0.38 1.20 5.85 -1.99 -1.09 115.31 118.71 2oqt h LEU 3 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2oqt h LEU 3 Cb 0.00 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2oqt h LEU 3 CO 0.00 -0.12 0.16 0.50 -0.34 0.00 0.00 178.44 178.63 2oqt h LYS 4 N -0.18 0.57 -0.34 1.25 3.64 -1.97 -1.81 116.57 117.72 2oqt h LYS 4 Ca -0.00 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.15 2oqt h LYS 4 Cb 0.16 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2oqt h LYS 4 CO -0.00 0.54 -0.29 0.37 -2.27 0.00 0.00 179.45 177.80 2oqt h GLN 5 N 0.47 0.70 -0.85 1.90 5.75 -1.98 -2.01 115.11 119.09 2oqt h GLN 5 Ca 0.13 -0.31 0.04 0.00 -0.15 0.00 0.00 58.65 58.35 2oqt h GLN 5 Cb 0.18 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.66 2oqt h GLN 5 CO -0.01 0.91 0.54 0.00 -2.65 0.00 0.00 178.83 177.62 2oqt h ALA 6 N 1.08 1.12 -0.32 3.38 0.00 -0.74 0.39 119.26 124.17 2oqt h ALA 6 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2oqt h ALA 6 Cb 0.79 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2oqt h ALA 6 CO 0.07 0.37 0.04 -0.07 0.00 0.00 0.00 179.25 179.66 2oqt h LEU 7 N 1.05 0.52 0.67 0.00 3.38 -1.10 -2.31 115.31 117.52 2oqt h LEU 7 Ca 0.34 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2oqt h LEU 7 Cb 0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2oqt h LEU 7 CO -0.12 0.66 -0.41 0.40 0.09 0.00 0.00 178.44 179.05 2oqt h ILE 8 N 0.36 0.16 -0.10 1.22 2.04 -1.06 0.26 117.51 120.41 2oqt h ILE 8 Ca 0.10 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.99 2oqt h ILE 8 Cb 0.36 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2oqt h ILE 8 CO 0.01 0.00 0.07 0.44 0.00 0.00 0.00 178.15 178.67 2oqt h ASP 9 N -1.02 0.00 0.00 1.72 3.32 -0.19 -2.20 116.42 118.05 2oqt h ASP 9 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2oqt h ASP 9 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 2oqt h ASP 9 CO 0.08 0.00 -1.02 0.59 -1.72 0.00 0.00 179.24 177.17 2oqt n ASN 10 N -4.43 0.84 -3.49 6.45 3.02 -0.87 -5.00 115.26 111.78 2oqt n ASN 10 Ca -0.01 -0.73 -0.19 0.00 -0.03 0.00 0.00 54.58 53.62 2oqt n ASN 10 Cb 0.19 1.17 0.09 0.00 -0.61 0.00 0.00 39.78 40.61 2oqt n ASN 10 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2oqt n ASN 11 N -1.55 -3.56 -2.14 6.41 5.15 0.89 -4.65 115.26 115.81 2oqt n ASN 11 Ca 0.02 -0.59 -0.25 0.00 -0.60 0.00 0.00 54.58 53.15 2oqt n ASN 11 Cb 0.31 -5.10 0.02 0.00 -0.53 0.00 0.00 39.78 34.48 2oqt n ASN 11 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2oqt n SER 12 N -3.09 5.07 -4.29 1.20 3.41 -1.00 -4.92 113.62 110.00 2oqt n SER 12 Ca -0.19 -3.75 -0.33 0.00 -0.26 0.00 0.00 58.87 54.34 2oqt n SER 12 Cb 0.63 -0.41 -0.15 0.00 -0.26 0.00 0.00 64.21 64.03 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 -4.81 2.81 -0.02 -1.33 1.01 -1.25 -0.10 121.20 117.50 2oqt s ILE 13 Ca 0.51 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.45 2oqt s ILE 13 Cb 0.41 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.71 2oqt s ILE 13 CO -0.02 0.51 -0.04 -0.13 0.00 0.00 0.00 174.94 175.27 2oqt s ARG 14 N 0.75 0.56 0.01 2.79 1.81 -0.52 -4.92 118.95 119.43 2oqt s ARG 14 Ca -0.06 -0.11 0.07 0.00 -1.72 0.00 0.00 55.73 53.92 2oqt s ARG 14 Cb -0.15 -0.59 -0.03 0.00 -0.45 0.00 0.00 34.95 33.73 2oqt s ARG 14 CO 0.01 -0.00 -0.21 -0.51 -0.68 0.00 0.00 175.30 173.91 2oqt s LEU 15 N 0.48 2.41 -0.27 2.53 1.43 -1.26 -1.38 118.68 122.62 2oqt s LEU 15 Ca -0.06 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2oqt s LEU 15 Cb -0.09 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.70 2oqt s LEU 15 CO -0.00 0.28 0.03 0.61 0.23 0.00 0.00 176.35 177.50 2oqt n GLY 16 N 1.91 0.30 3.94 -3.19 0.00 -1.18 -4.91 105.19 102.06 2oqt n GLY 16 Ca -0.16 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.11 2.87 0.02 0.99 1.43 -0.93 -4.66 118.68 117.29 2oqt s LEU 17 Ca 0.01 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2oqt s LEU 17 Cb -0.01 -3.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 2oqt s LEU 17 CO 0.02 -1.58 -0.06 -0.94 0.23 0.00 0.00 176.35 174.01 2oqt s SER 18 N -4.52 0.72 -0.03 2.29 1.04 -1.26 -1.75 113.70 110.19 2oqt s SER 18 Ca 0.60 -0.32 -0.05 0.00 0.48 0.00 0.00 55.95 56.66 2oqt s SER 18 Cb -0.10 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.01 2oqt s SER 18 CO 0.44 -0.07 0.12 0.00 0.98 0.00 0.00 173.24 174.71 2oqt s ALA 19 N -0.75 -0.29 -0.09 5.32 0.00 -1.26 -4.95 121.76 119.73 2oqt s ALA 19 Ca -0.04 0.16 0.10 0.00 0.00 0.00 0.00 51.96 52.18 2oqt s ALA 19 Cb -0.06 -0.10 -0.24 0.00 0.00 0.00 0.00 23.12 22.73 2oqt s ALA 19 CO 0.00 -0.11 0.46 -0.25 0.00 0.00 0.00 175.76 175.86 2oqt n ASP 20 N 2.47 0.96 -4.33 0.00 10.43 -1.26 -4.87 116.55 119.95 2oqt n ASP 20 Ca -0.16 0.28 -0.18 0.00 2.57 0.00 0.00 54.79 57.30 2oqt n ASP 20 Cb 0.58 -0.01 -0.10 0.00 1.84 0.00 0.00 41.12 43.43 2oqt n ASP 20 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2oqt s THR 21 N -2.57 1.40 0.21 -3.53 -4.23 -1.26 -4.85 115.64 100.81 2oqt s THR 21 Ca -0.10 -2.11 -0.06 0.00 -1.18 0.00 0.00 61.69 58.24 2oqt s THR 21 Cb 0.07 -2.15 0.08 0.00 1.34 0.00 0.00 72.50 71.84 2oqt s THR 21 CO 0.81 -0.51 1.68 4.11 -0.54 0.00 0.00 174.62 180.16 2oqt h TRP 22 N 2.54 1.01 -0.21 3.99 5.08 -1.95 -2.88 115.95 123.54 2oqt h TRP 22 Ca -0.38 -0.17 0.06 0.00 1.08 0.00 0.00 58.89 59.47 2oqt h TRP 22 Cb 1.22 -0.26 -0.06 0.00 -3.00 0.00 0.00 29.16 27.05 2oqt h TRP 22 CO 0.66 0.93 -0.20 1.96 -1.28 0.00 0.00 178.44 180.51 2oqt h GLN 23 N 0.85 -0.21 -1.00 0.12 7.50 -1.97 -0.55 115.11 119.84 2oqt h GLN 23 Ca 0.15 0.01 0.17 0.00 0.50 0.00 0.00 58.65 59.49 2oqt h GLN 23 Cb 0.56 0.05 -0.10 0.00 0.05 0.00 0.00 27.48 28.04 2oqt h GLN 23 CO 0.03 -0.14 0.62 0.93 -1.50 0.00 0.00 178.83 178.77 2oqt h GLU 24 N -0.22 0.80 -0.03 1.46 5.08 -1.95 0.17 114.58 119.89 2oqt h GLU 24 Ca 0.13 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.24 2oqt h GLU 24 Cb 0.41 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2oqt h GLU 24 CO -0.34 0.53 -0.84 0.00 -1.00 0.00 0.00 179.01 177.36 2oqt h ALA 25 N 1.62 0.51 0.13 3.43 0.00 -1.19 -0.25 119.26 123.51 2oqt h ALA 25 Ca 0.56 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2oqt h ALA 25 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2oqt h ALA 25 CO -0.35 0.82 -0.06 0.28 0.00 0.00 0.00 179.25 179.93 2oqt h VAL 26 N 0.21 0.97 -0.54 0.00 2.07 -0.74 0.50 116.25 118.72 2oqt h VAL 26 Ca -0.05 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 67.19 2oqt h VAL 26 Cb 1.44 1.21 -0.11 0.00 -1.52 0.00 0.00 31.29 32.31 2oqt h VAL 26 CO 0.14 0.09 -0.22 -0.09 0.02 0.00 0.00 177.57 177.51 2oqt h ARG 27 N -0.36 -0.09 -0.97 1.57 2.43 -0.77 -0.54 114.38 115.65 2oqt h ARG 27 Ca -0.02 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2oqt h ARG 27 Cb 0.29 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 2oqt h ARG 27 CO 0.03 -0.06 0.63 -0.07 -1.51 0.00 0.00 179.97 178.99 2oqt h LEU 28 N -0.10 1.13 -1.27 3.80 3.38 -0.88 -1.24 115.31 120.13 2oqt h LEU 28 Ca 0.25 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2oqt h LEU 28 Cb 0.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2oqt h LEU 28 CO -0.61 0.83 -0.23 0.00 0.09 0.00 0.00 178.44 178.52 2oqt h ALA 29 N 1.37 1.39 0.07 1.53 0.00 -0.31 -3.17 119.26 120.15 2oqt h ALA 29 Ca 0.35 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 2oqt h ALA 29 Cb -0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2oqt h ALA 29 CO -0.07 0.42 -1.60 0.28 0.00 0.00 0.00 179.25 178.28 2oqt h VAL 30 N 0.19 1.05 -0.87 0.00 2.07 -0.38 -3.40 116.25 114.91 2oqt h VAL 30 Ca 0.03 -2.76 0.17 0.00 0.82 0.00 0.00 66.70 64.96 2oqt h VAL 30 Cb 0.52 2.64 -0.16 0.00 -1.52 0.00 0.00 31.29 32.76 2oqt h VAL 30 CO 0.04 0.75 -0.25 -0.61 0.02 0.00 0.00 177.57 177.52 2oqt h GLN 31 N 0.04 -0.01 -0.90 1.57 5.75 -1.22 -0.40 115.11 119.94 2oqt h GLN 31 Ca -0.26 0.00 0.24 0.00 -0.15 0.00 0.00 58.65 58.49 2oqt h GLN 31 Cb 1.99 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 30.41 2oqt h GLN 31 CO 0.13 -0.01 0.30 -1.35 -2.65 0.00 0.00 178.83 175.25 2oqt h PRO 32 N -0.01 0.24 0.00 -2.39 0.11 -1.78 0.39 132.00 128.56 2oqt h PRO 32 Ca 0.40 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.46 2oqt h PRO 32 Cb 0.63 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2oqt h PRO 32 CO -0.89 0.16 -0.18 -0.07 -0.21 0.00 0.00 178.00 176.81 2oqt h LEU 33 N 0.25 0.00 0.08 2.35 4.07 -1.35 0.44 115.31 121.15 2oqt h LEU 33 Ca 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.53 2oqt h LEU 33 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 2oqt h LEU 33 CO -0.63 0.18 -0.04 0.40 -1.08 0.00 0.00 178.44 177.27 2oqt h ILE 34 N 0.00 1.18 -0.70 1.22 2.04 -0.25 -1.69 117.51 119.32 2oqt h ILE 34 Ca -0.00 -1.12 0.13 0.00 1.00 0.00 0.00 64.86 64.87 2oqt h ILE 34 Cb 0.65 1.89 -0.13 0.00 -0.74 0.00 0.00 36.82 38.48 2oqt h ILE 34 CO 0.02 0.27 -0.24 0.44 0.00 0.00 0.00 178.15 178.64 2oqt h ASP 35 N -0.63 -0.88 0.67 1.72 3.32 -0.67 0.15 116.42 120.09 2oqt h ASP 35 Ca -0.01 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2oqt h ASP 35 Cb 0.52 0.51 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2oqt h ASP 35 CO 0.02 -0.27 0.00 -1.54 -1.72 0.00 0.00 179.24 175.73 2oqt n SER 36 N -5.47 0.00 0.00 6.45 3.41 0.11 -4.90 113.62 113.22 2oqt n SER 36 Ca 0.08 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2oqt n SER 36 Cb 0.37 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2oqt n SER 36 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2oqt n LYS 37 N -1.44 -0.71 0.25 4.33 4.76 0.53 -4.88 118.16 121.00 2oqt n LYS 37 Ca 0.07 0.18 0.17 0.00 -2.87 0.00 0.00 58.31 55.85 2oqt n LYS 37 Cb 0.24 -3.80 0.71 0.00 -1.84 0.00 0.00 35.03 30.34 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 1.00 -2.73 7.82 0.00 -1.62 -3.43 119.26 120.29 2oqt h ALA 38 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2oqt h ALA 38 Cb 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.03 2oqt h ALA 38 CO 0.00 0.00 -0.35 0.14 0.00 0.00 0.00 179.25 179.04 2oqt s VAL 39 N -3.65 0.00 0.21 0.00 -7.23 -0.70 -1.32 120.40 107.71 2oqt s VAL 39 Ca 0.01 -1.69 0.09 0.00 -1.81 0.00 0.00 61.98 58.58 2oqt s VAL 39 Cb 0.09 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2oqt s VAL 39 CO 0.47 0.00 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.29 2oqt s THR 40 N -4.03 3.16 0.57 5.32 2.01 0.20 -4.15 115.64 118.72 2oqt s THR 40 Ca 0.30 -1.81 0.28 0.00 0.31 0.00 0.00 61.69 60.78 2oqt s THR 40 Cb 0.03 -2.61 0.39 0.00 0.01 0.00 0.00 72.50 70.32 2oqt s THR 40 CO 0.11 -0.21 1.94 0.77 -0.69 0.00 0.00 174.62 176.54 2oqt h SER 41 N 2.58 0.00 -1.17 3.53 4.64 -1.97 -1.11 113.55 120.06 2oqt h SER 41 Ca -0.45 0.00 0.40 0.00 -0.47 0.00 0.00 61.79 61.26 2oqt h SER 41 Cb 1.22 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.17 2oqt h SER 41 CO 0.56 0.00 0.71 0.00 -0.87 0.00 0.00 176.83 177.23 2oqt h ALA 42 N 1.56 2.41 -0.54 5.18 0.00 -1.90 0.18 119.26 126.14 2oqt h ALA 42 Ca 0.22 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2oqt h ALA 42 Cb 1.10 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2oqt h ALA 42 CO -0.00 -1.06 0.31 -0.92 0.00 0.00 0.00 179.25 177.58 2oqt h TYR 43 N 0.14 0.74 -0.64 0.00 3.20 -0.98 0.27 116.97 119.69 2oqt h TYR 43 Ca 0.80 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.71 2oqt h TYR 43 Cb 2.24 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 40.22 2oqt h TYR 43 CO -0.01 0.53 0.35 -0.92 -1.64 0.00 0.00 178.16 176.48 2oqt h TYR 44 N 0.73 0.65 -0.42 -3.82 3.20 -0.86 -1.13 116.97 115.32 2oqt h TYR 44 Ca 0.19 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 2oqt h TYR 44 Cb 0.03 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 2oqt h TYR 44 CO -0.02 0.31 0.15 -0.44 -1.64 0.00 0.00 178.16 176.52 2oqt h ASP 45 N 0.66 0.60 -0.72 -2.11 3.45 -0.40 -0.10 116.42 117.80 2oqt h ASP 45 Ca 0.29 -0.19 0.02 0.00 0.43 0.00 0.00 57.03 57.58 2oqt h ASP 45 Cb 0.18 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.75 2oqt h ASP 45 CO -0.18 0.63 0.46 0.00 -1.57 0.00 0.00 179.24 178.58 2oqt h ALA 46 N 0.99 0.93 0.12 3.45 0.00 -0.34 -1.42 119.26 123.00 2oqt h ALA 46 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2oqt h ALA 46 Cb 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2oqt h ALA 46 CO -0.01 0.26 -0.06 0.82 0.00 0.00 0.00 179.25 180.26 2oqt h ILE 47 N 0.90 0.90 -0.48 0.00 2.04 -0.98 -1.22 117.51 118.67 2oqt h ILE 47 Ca 0.28 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 66.16 2oqt h ILE 47 Cb -0.02 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 2oqt h ILE 47 CO -0.10 0.01 0.10 0.40 0.00 0.00 0.00 178.15 178.57 2oqt h ILE 48 N -0.19 0.74 -0.19 -0.67 1.08 -0.77 -1.48 117.51 116.04 2oqt h ILE 48 Ca -0.02 -0.08 -0.11 0.00 -0.39 0.00 0.00 64.86 64.27 2oqt h ILE 48 Cb 0.15 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 2oqt h ILE 48 CO 0.03 0.04 -0.34 0.00 -0.69 0.00 0.00 178.15 177.19 2oqt h ALA 49 N 1.37 1.06 -0.21 1.87 0.00 -1.17 -1.53 119.26 120.65 2oqt h ALA 49 Ca 0.24 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 2oqt h ALA 49 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2oqt h ALA 49 CO -0.30 0.58 -0.45 0.77 0.00 0.00 0.00 179.25 179.85 2oqt h SER 50 N 0.34 0.57 -0.21 0.00 0.02 -0.99 -2.48 113.55 110.80 2oqt h SER 50 Ca 0.04 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 2oqt h SER 50 Cb 0.77 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2oqt h SER 50 CO 0.06 0.94 0.00 0.74 -1.14 0.00 0.00 176.83 177.43 2oqt h THR 51 N 0.43 1.25 -0.78 -2.27 2.02 -0.87 0.52 112.91 113.22 2oqt h THR 51 Ca 0.03 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 2oqt h THR 51 Cb 0.96 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 2oqt h THR 51 CO 0.08 0.27 0.30 -0.33 0.37 0.00 0.00 175.52 176.22 2oqt h GLU 52 N 0.14 1.16 -0.31 6.66 5.08 -1.35 0.50 114.58 126.46 2oqt h GLU 52 Ca 0.06 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.07 2oqt h GLU 52 Cb 0.40 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2oqt h GLU 52 CO 0.01 0.95 -0.37 -0.22 -1.00 0.00 0.00 179.01 178.38 2oqt h LYS 53 N 1.13 0.73 -0.00 2.33 3.64 -1.41 -3.38 116.57 119.60 2oqt h LYS 53 Ca 0.26 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2oqt h LYS 53 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2oqt h LYS 53 CO -0.02 0.98 -0.12 0.66 -2.27 0.00 0.00 179.45 178.68 2oqt n TYR 54 N -4.05 0.00 0.00 1.91 4.01 0.17 -5.09 117.16 114.11 2oqt n TYR 54 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2oqt n TYR 54 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 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 0.74 -1.30 2.81 2.72 0.00 0.17 -4.58 105.19 105.75 2oqt n GLY 55 Ca 0.02 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.44 3.18 0.30 1.61 -0.04 -1.26 -4.47 135.00 132.88 2oqt n PRO 56 Ca 0.00 -3.01 0.18 0.00 -0.04 0.00 0.00 63.50 60.63 2oqt n PRO 56 Cb 0.00 -3.14 0.91 0.00 -0.04 0.00 0.00 33.50 31.23 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 5.94 0.00 -0.53 0.54 -0.00 -1.92 -2.88 116.97 118.13 2oqt h TYR 57 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.22 2oqt h TYR 57 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.37 2oqt h TYR 57 CO 1.37 0.03 0.00 2.48 -0.00 0.00 0.00 178.16 182.04 2oqt n TYR 58 N -3.24 1.13 -2.91 0.10 4.11 -1.26 -4.75 117.16 110.33 2oqt n TYR 58 Ca -0.01 -0.46 -0.44 0.00 -0.00 0.00 0.00 57.90 56.99 2oqt n TYR 58 Cb 0.19 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.34 39.33 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 -1.70 4.57 -0.76 -3.48 1.01 -1.09 -4.41 120.40 114.54 2oqt s VAL 59 Ca 0.40 -1.04 0.24 0.00 0.00 0.00 0.00 61.98 61.58 2oqt s VAL 59 Cb 0.25 -4.72 0.23 0.00 0.00 0.00 0.00 36.38 32.14 2oqt s VAL 59 CO 0.21 -1.46 1.72 0.18 0.00 0.00 0.00 175.10 175.75 2oqt n LEU 60 N 7.01 0.44 -4.81 3.92 4.32 -1.26 -4.98 117.00 121.64 2oqt n LEU 60 Ca 0.10 0.57 -0.39 0.00 -0.02 0.00 0.00 56.01 56.28 2oqt n LEU 60 Cb 0.47 -0.47 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 2oqt n LEU 60 CO 0.57 -0.28 0.28 -2.84 -1.22 0.00 0.00 177.39 173.90 2oqt s PRO 62 N -3.13 4.23 0.00 3.23 0.02 -1.26 -5.10 135.00 132.98 2oqt s PRO 62 Ca 0.09 0.77 0.00 0.00 0.02 0.00 0.00 61.00 61.87 2oqt s PRO 62 Cb 0.12 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.40 2oqt s PRO 62 CO 0.45 0.63 0.00 0.41 -0.33 0.00 0.00 177.00 178.17 2oqt n GLY 63 N 1.70 0.89 0.00 0.52 0.00 0.05 -4.99 105.19 103.36 2oqt n GLY 63 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.66 0.00 -3.49 4.61 0.00 -0.33 -0.29 120.51 119.36 2oqt n ALA 65 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2oqt n ALA 65 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.71 0.43 0.19 0.00 0.02 -1.22 -0.91 135.00 132.81 2oqt s PRO 67 Ca 0.00 1.05 -0.06 0.00 0.02 0.00 0.00 61.00 62.00 2oqt s PRO 67 Cb 0.00 0.63 -0.02 0.00 0.02 0.00 0.00 34.50 35.13 2oqt s PRO 67 CO 0.00 -0.18 0.26 -3.38 -0.33 0.00 0.00 177.00 173.37 2oqt s HIS 68 N 2.69 0.70 0.38 6.54 -3.43 -1.26 -2.36 115.29 118.55 2oqt s HIS 68 Ca -0.03 -1.02 0.05 0.00 -0.80 0.00 0.00 55.06 53.27 2oqt s HIS 68 Cb -0.09 -0.21 -0.00 0.00 -1.43 0.00 0.00 32.58 30.84 2oqt s HIS 68 CO -0.18 -0.74 0.55 0.00 -2.00 0.00 0.00 174.74 172.36 2oqt s ALA 69 N -4.06 4.14 0.37 -1.38 0.00 -1.26 -4.77 121.76 114.80 2oqt s ALA 69 Ca 0.27 -1.38 0.07 0.00 0.00 0.00 0.00 51.96 50.91 2oqt s ALA 69 Cb 0.04 -1.80 0.77 0.00 0.00 0.00 0.00 23.12 22.13 2oqt s ALA 69 CO 0.07 -0.19 1.97 0.93 0.00 0.00 0.00 175.76 178.54 2oqt h GLU 70 N 0.70 0.69 -4.12 0.00 5.08 -1.96 -3.46 114.58 111.51 2oqt h GLU 70 Ca -0.45 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 57.70 2oqt h GLU 70 Cb 1.26 -0.16 -0.19 0.00 0.50 0.00 0.00 28.75 30.16 2oqt h GLU 70 CO 0.53 0.46 -0.70 0.00 -1.00 0.00 0.00 179.01 178.30 2oqt s ALA 71 N -5.64 0.28 0.00 3.43 0.00 -1.26 -4.63 121.76 113.95 2oqt s ALA 71 Ca -0.09 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 2oqt s ALA 71 Cb 0.19 0.17 -0.17 0.00 0.00 0.00 0.00 23.12 23.31 2oqt s ALA 71 CO 0.77 -0.20 2.89 0.41 0.00 0.00 0.00 175.76 179.63 2oqt n GLY 72 N 1.19 2.67 3.74 0.00 0.00 -1.21 -4.93 105.19 106.64 2oqt n GLY 72 Ca -0.21 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2oqt n GLY 72 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2oqt s LEU 73 N 0.00 4.47 -0.05 0.99 2.34 -1.26 -2.69 118.68 122.48 2oqt s LEU 73 Ca 0.43 1.62 0.00 0.00 0.06 0.00 0.00 54.13 56.24 2oqt s LEU 73 Cb 0.20 -3.41 0.00 0.00 -0.56 0.00 0.00 46.19 42.42 2oqt s LEU 73 CO 0.00 -0.03 0.00 0.61 -1.06 0.00 0.00 176.35 175.87 2oqt n GLY 74 N 2.34 0.35 3.52 -3.48 0.00 -1.26 -2.69 105.19 103.97 2oqt n GLY 74 Ca 0.00 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2oqt n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oqt s VAL 75 N -1.67 5.18 -0.53 1.61 1.01 -1.09 -0.63 120.40 124.28 2oqt s VAL 75 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2oqt s VAL 75 Cb 0.00 -3.86 0.41 0.00 0.00 0.00 0.00 36.38 32.92 2oqt s VAL 75 CO 0.00 -0.18 1.34 -0.46 0.00 0.00 0.00 175.10 175.81 2oqt n ASN 76 N 5.35 5.43 0.00 3.32 0.23 -0.43 -4.82 115.26 124.34 2oqt n ASN 76 Ca -0.10 -3.75 0.00 0.00 -0.53 0.00 0.00 54.58 50.20 2oqt n ASN 76 Cb 0.49 -0.60 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 2oqt n ASN 76 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2oqt n ARG 77 N -0.52 0.00 -1.69 -3.83 0.63 -1.25 -4.86 116.66 105.14 2oqt n ARG 77 Ca 0.43 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 57.00 2oqt n ARG 77 Cb 0.58 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.56 2oqt n ARG 77 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2oqt s ASN 78 N 0.00 4.54 -0.27 6.15 0.01 -1.26 -4.77 114.94 119.34 2oqt s ASN 78 Ca 0.00 2.56 -0.34 0.00 -0.71 0.00 0.00 52.86 54.37 2oqt s ASN 78 Cb 0.00 -2.61 0.17 0.00 0.41 0.00 0.00 41.25 39.21 2oqt s ASN 78 CO 0.00 -2.04 1.33 0.00 -1.51 0.00 0.00 177.10 174.88 2oqt s ALA 79 N -1.52 -2.14 0.17 0.60 0.00 -0.88 -5.03 121.76 112.95 2oqt s ALA 79 Ca 0.81 1.84 0.09 0.00 0.00 0.00 0.00 51.96 54.70 2oqt s ALA 79 Cb -0.35 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2oqt s ALA 79 CO 0.40 -0.44 -0.19 -0.06 0.00 0.00 0.00 175.76 175.47 2oqt s PHE 80 N -1.71 1.91 0.16 0.00 0.08 -1.26 -1.73 117.98 115.43 2oqt s PHE 80 Ca 0.10 -0.44 0.04 0.00 0.12 0.00 0.00 56.93 56.75 2oqt s PHE 80 Cb -0.01 -0.95 -0.05 0.00 -0.57 0.00 0.00 43.02 41.44 2oqt s PHE 80 CO -0.05 0.36 -0.08 0.00 -0.10 0.00 0.00 175.22 175.35 2oqt s ALA 81 N -1.95 1.52 -0.15 5.36 0.00 -0.63 -4.38 121.76 121.53 2oqt s ALA 81 Ca 0.16 -1.55 -0.06 0.00 0.00 0.00 0.00 51.96 50.51 2oqt s ALA 81 Cb -0.06 0.14 0.07 0.00 0.00 0.00 0.00 23.12 23.26 2oqt s ALA 81 CO 0.07 -0.13 0.34 -1.17 0.00 0.00 0.00 175.76 174.87 2oqt s LEU 82 N -3.19 -0.22 0.10 0.00 1.98 0.86 -1.90 118.68 116.30 2oqt s LEU 82 Ca 0.19 0.76 0.04 0.00 -2.89 0.00 0.00 54.13 52.23 2oqt s LEU 82 Cb 0.03 1.03 -0.04 0.00 0.66 0.00 0.00 46.19 47.87 2oqt s LEU 82 CO 0.02 -0.21 -0.11 0.27 -1.89 0.00 0.00 176.35 174.42 2oqt s ILE 83 N 2.04 1.07 0.10 6.68 -4.36 -0.05 -1.44 121.20 125.24 2oqt s ILE 83 Ca -0.04 -1.66 0.09 0.00 -0.26 0.00 0.00 60.65 58.78 2oqt s ILE 83 Cb -0.11 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.16 2oqt s ILE 83 CO -0.11 -0.50 -0.23 -0.89 0.24 0.00 0.00 174.94 173.45 2oqt s THR 84 N -2.31 1.93 0.17 8.37 2.01 -0.48 -1.27 115.64 124.05 2oqt s THR 84 Ca 0.06 -1.54 0.10 0.00 0.31 0.00 0.00 61.69 60.63 2oqt s THR 84 Cb -0.04 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 2oqt s THR 84 CO 0.01 0.08 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.07 2oqt s LEU 85 N -1.76 2.63 0.21 4.42 1.43 0.42 -2.18 118.68 123.84 2oqt s LEU 85 Ca 0.10 -0.71 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2oqt s LEU 85 Cb -0.10 -1.39 0.15 0.00 0.03 0.00 0.00 46.19 44.89 2oqt s LEU 85 CO 0.04 0.13 1.49 0.74 0.23 0.00 0.00 176.35 178.99 2oqt h THR 86 N 3.21 1.42 -3.96 5.49 2.02 -1.61 -3.45 112.91 116.03 2oqt h THR 86 Ca -0.48 -2.20 -0.59 0.00 0.77 0.00 0.00 66.41 63.91 2oqt h THR 86 Cb 1.20 2.16 -0.22 0.00 -1.74 0.00 0.00 68.15 69.54 2oqt h THR 86 CO 0.48 0.65 -0.84 -0.54 0.37 0.00 0.00 175.52 175.64 2oqt s LYS 87 N -3.57 1.23 0.88 6.66 1.02 -1.26 -5.14 119.74 119.56 2oqt s LYS 87 Ca -0.04 -1.18 -0.10 0.00 0.02 0.00 0.00 55.97 54.67 2oqt s LYS 87 Cb 0.11 -1.53 0.12 0.00 -0.52 0.00 0.00 37.83 36.02 2oqt s LYS 87 CO 0.81 0.36 1.12 -2.14 -0.92 0.00 0.00 175.35 174.58 2oqt s PRO 88 N -1.85 1.35 0.07 -1.68 0.02 -1.26 -4.83 135.00 126.82 2oqt s PRO 88 Ca 0.08 1.36 0.07 0.00 0.02 0.00 0.00 61.00 62.53 2oqt s PRO 88 Cb -0.10 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.61 2oqt s PRO 88 CO 0.04 -2.34 -0.19 0.54 -0.33 0.00 0.00 177.00 174.72 2oqt s VAL 89 N -2.74 1.58 -0.20 3.83 0.11 0.35 -4.87 120.40 118.46 2oqt s VAL 89 Ca 0.65 -1.33 -0.05 0.00 -2.93 0.00 0.00 61.98 58.32 2oqt s VAL 89 Cb -0.21 -1.41 -0.02 0.00 -1.53 0.00 0.00 36.38 33.21 2oqt s VAL 89 CO 0.58 0.04 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.49 2oqt s THR 90 N -0.99 3.90 0.79 5.04 2.01 -1.26 -0.33 115.64 124.80 2oqt s THR 90 Ca 0.06 -0.33 -0.12 0.00 0.31 0.00 0.00 61.69 61.61 2oqt s THR 90 Cb -0.09 -2.77 0.07 0.00 0.01 0.00 0.00 72.50 69.72 2oqt s THR 90 CO 0.03 0.43 1.14 -0.36 -0.69 0.00 0.00 174.62 175.16 2oqt s PHE 91 N 1.04 2.99 -1.70 4.92 0.08 0.12 -4.20 117.98 121.23 2oqt s PHE 91 Ca 0.02 0.90 0.24 0.00 0.12 0.00 0.00 56.93 58.21 2oqt s PHE 91 Cb -0.14 -3.31 1.32 0.00 -0.57 0.00 0.00 43.02 40.32 2oqt s PHE 91 CO 0.01 -1.67 1.80 -1.13 -0.10 0.00 0.00 175.22 174.13 2oqt n SER 92 N -3.30 0.00 -1.05 1.36 3.41 -1.26 -0.53 113.62 112.25 2oqt n SER 92 Ca 0.07 -0.39 0.08 0.00 -0.26 0.00 0.00 58.87 58.38 2oqt n SER 92 Cb 0.59 -0.15 0.27 0.00 -0.26 0.00 0.00 64.21 64.66 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 -1.15 4.05 0.00 4.04 5.75 -1.26 -4.98 116.55 123.00 2oqt n ASP 93 Ca 0.15 -2.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.17 2oqt n ASP 93 Cb 0.14 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 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 0.01 1.91 3.71 6.12 0.00 0.31 -5.03 105.19 112.23 2oqt n GLY 94 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.26 4.30 0.00 1.61 1.02 -1.25 -4.73 119.74 120.43 2oqt s LYS 95 Ca 0.00 2.11 -0.10 0.00 0.02 0.00 0.00 55.97 58.00 2oqt s LYS 95 Cb 0.00 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 2oqt s LYS 95 CO 0.00 -0.47 0.32 -1.21 -0.92 0.00 0.00 175.35 173.07 2oqt s GLU 96 N 1.21 3.70 -0.05 1.68 2.02 -1.26 0.11 118.70 126.10 2oqt s GLU 96 Ca 0.65 0.11 -0.03 0.00 0.02 0.00 0.00 54.97 55.73 2oqt s GLU 96 Cb -0.37 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 30.77 2oqt s GLU 96 CO 0.30 0.66 0.12 0.08 0.02 0.00 0.00 175.26 176.44 2oqt s VAL 97 N -1.22 -0.04 0.00 2.63 1.01 0.56 -0.77 120.40 122.57 2oqt s VAL 97 Ca 0.26 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2oqt s VAL 97 Cb -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.04 2oqt s VAL 97 CO 0.14 0.05 0.00 -1.20 0.00 0.00 0.00 175.10 174.09 2oqt n SER 98 N 3.86 2.86 -3.96 3.32 7.64 0.32 -0.49 113.62 127.16 2oqt n SER 98 Ca -0.23 -0.14 -0.22 0.00 1.01 0.00 0.00 58.87 59.30 2oqt n SER 98 Cb 0.54 0.85 -0.16 0.00 -1.01 0.00 0.00 64.21 64.43 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 -1.42 0.79 -0.13 0.44 1.01 0.60 -0.44 120.40 121.25 2oqt s VAL 99 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2oqt s VAL 99 Cb 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.65 2oqt s VAL 99 CO 0.00 0.27 -0.11 -0.76 0.00 0.00 0.00 175.10 174.50 2oqt s LEU 100 N 0.68 1.48 -0.46 3.92 1.02 -0.40 -1.18 118.68 123.73 2oqt s LEU 100 Ca -0.11 -0.42 -0.05 0.00 0.02 0.00 0.00 54.13 53.57 2oqt s LEU 100 Cb -0.14 -1.02 0.12 0.00 0.02 0.00 0.00 46.19 45.17 2oqt s LEU 100 CO 0.02 -0.09 0.28 -0.22 0.02 0.00 0.00 176.35 176.35 2oqt s LEU 101 N 1.59 5.39 0.02 1.79 0.20 -0.09 -0.87 118.68 126.71 2oqt s LEU 101 Ca 0.05 -2.11 -0.30 0.00 0.69 0.00 0.00 54.13 52.46 2oqt s LEU 101 Cb -0.13 -1.89 -0.05 0.00 -0.43 0.00 0.00 46.19 43.70 2oqt s LEU 101 CO -0.09 -0.57 1.24 -0.89 -0.29 0.00 0.00 176.35 175.75 2oqt s THR 102 N 1.05 4.03 -0.36 3.68 2.01 -0.80 -3.41 115.64 121.84 2oqt s THR 102 Ca 0.09 1.43 -0.15 0.00 0.31 0.00 0.00 61.69 63.36 2oqt s THR 102 Cb -0.23 -3.92 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 2oqt s THR 102 CO -0.03 0.06 0.37 -0.22 -0.69 0.00 0.00 174.62 174.10 2oqt s LEU 103 N 1.64 4.55 -0.36 4.42 0.20 -0.99 -1.60 118.68 126.54 2oqt s LEU 103 Ca 0.59 -0.35 -0.12 0.00 0.69 0.00 0.00 54.13 54.93 2oqt s LEU 103 Cb -0.28 -2.33 0.01 0.00 -0.43 0.00 0.00 46.19 43.16 2oqt s LEU 103 CO 0.26 -0.38 0.23 0.00 -0.29 0.00 0.00 176.35 176.17 2oqt s ALA 104 N 2.01 3.38 -0.02 5.97 0.00 -0.71 -4.43 121.76 127.95 2oqt s ALA 104 Ca 0.11 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.54 2oqt s ALA 104 Cb -0.17 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 2oqt s ALA 104 CO 0.12 -1.23 -0.19 0.00 0.00 0.00 0.00 175.76 174.47 2oqt s ALA 105 N 1.63 1.57 0.24 0.00 0.00 -1.26 -2.08 121.76 121.86 2oqt s ALA 105 Ca 0.04 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 2oqt s ALA 105 Cb -0.18 -0.44 0.22 0.00 0.00 0.00 0.00 23.12 22.72 2oqt s ALA 105 CO 0.08 0.36 1.90 1.79 0.00 0.00 0.00 175.76 179.89 2oqt h THR 106 N 4.84 1.24 -2.85 0.00 1.35 -1.87 -3.36 112.91 112.27 2oqt h THR 106 Ca -0.36 -0.47 -0.61 0.00 -0.55 0.00 0.00 66.41 64.41 2oqt h THR 106 Cb 1.15 -0.10 -0.41 0.00 -1.73 0.00 0.00 68.15 67.06 2oqt h THR 106 CO 0.48 0.24 -0.64 -0.67 -0.25 0.00 0.00 175.52 174.69 2oqt n ASP 107 N -4.42 2.64 0.33 5.36 -0.08 -1.26 -3.35 116.55 115.77 2oqt n ASP 107 Ca 0.10 -3.13 0.21 0.00 -1.51 0.00 0.00 54.79 50.46 2oqt n ASP 107 Cb 0.03 -0.72 1.10 0.00 2.34 0.00 0.00 41.12 43.87 2oqt n ASP 107 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2oqt h PRO 108 N 5.21 0.00 -0.71 -0.67 0.11 -1.84 -2.07 132.00 132.04 2oqt h PRO 108 Ca 0.17 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.39 2oqt h PRO 108 Cb 0.76 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.79 2oqt h PRO 108 CO 0.69 0.00 0.32 0.77 -0.21 0.00 0.00 178.00 179.56 2oqt h SER 109 N 0.00 0.36 0.00 -2.05 0.02 -1.93 -2.96 113.55 107.00 2oqt h SER 109 Ca 0.00 0.08 -0.31 0.00 -0.84 0.00 0.00 61.79 60.73 2oqt h SER 109 Cb 0.18 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 2oqt h SER 109 CO -0.00 0.19 -2.16 2.30 -1.14 0.00 0.00 176.83 176.02 2oqt n ILE 110 N -4.93 1.16 0.02 3.27 -6.64 -0.99 -4.60 119.36 106.65 2oqt n ILE 110 Ca 0.12 -0.55 -0.03 0.00 -1.77 0.00 0.00 62.75 60.52 2oqt n ILE 110 Cb 0.33 -0.98 0.20 0.00 -1.44 0.00 0.00 39.64 37.75 2oqt n ILE 110 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 2oqt h HIS 111 N 0.00 0.52 -0.15 4.28 3.86 -1.41 -2.45 115.15 119.80 2oqt h HIS 111 Ca -0.46 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 58.51 2oqt h HIS 111 Cb 1.83 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 30.16 2oqt h HIS 111 CO 0.01 0.69 -0.48 1.79 0.86 0.00 0.00 177.93 180.80 2oqt h THR 112 N 0.41 1.33 -0.27 2.45 1.35 -1.78 -0.18 112.91 116.22 2oqt h THR 112 Ca 0.06 -1.70 -0.16 0.00 -0.55 0.00 0.00 66.41 64.05 2oqt h THR 112 Cb 0.68 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 2oqt h THR 112 CO 0.05 0.52 -0.48 0.74 -0.25 0.00 0.00 175.52 176.10 2oqt h THR 113 N 0.32 1.29 -0.56 6.82 2.02 -1.77 -2.94 112.91 118.09 2oqt h THR 113 Ca 0.02 -1.68 0.04 0.00 0.77 0.00 0.00 66.41 65.56 2oqt h THR 113 Cb 0.97 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.93 2oqt h THR 113 CO 0.08 0.54 0.31 0.58 0.37 0.00 0.00 175.52 177.40 2oqt h VAL 114 N 0.58 0.99 0.00 3.16 2.07 -1.14 -3.13 116.25 118.79 2oqt h VAL 114 Ca 0.03 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2oqt h VAL 114 Cb 1.04 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2oqt h VAL 114 CO 0.10 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 177.78 2oqt h ALA 115 N 1.28 0.99 -0.24 1.67 0.00 -0.99 -3.38 119.26 118.60 2oqt h ALA 115 Ca 0.24 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2oqt h ALA 115 Cb 0.11 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2oqt h ALA 115 CO -0.14 0.03 -0.26 0.82 0.00 0.00 0.00 179.25 179.70 2oqt h ILE 116 N 0.00 0.36 -0.96 0.00 1.08 -1.46 -2.09 117.51 114.44 2oqt h ILE 116 Ca -0.00 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.66 2oqt h ILE 116 Cb 0.73 0.36 -0.09 0.00 -3.07 0.00 0.00 36.82 34.75 2oqt h ILE 116 CO 0.00 0.00 0.61 1.55 -0.69 0.00 0.00 178.15 179.62 2oqt h PRO 117 N -0.27 0.62 0.13 2.37 0.13 -1.79 0.68 132.00 133.87 2oqt h PRO 117 Ca 0.14 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 2oqt h PRO 117 Cb 0.48 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.47 2oqt h PRO 117 CO -0.40 0.41 -0.06 1.96 -0.23 0.00 0.00 178.00 179.68 2oqt h GLN 118 N 0.64 -0.16 -0.70 0.86 4.20 -1.61 0.66 115.11 119.00 2oqt h GLN 118 Ca 0.52 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.40 2oqt h GLN 118 Cb 0.96 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.66 2oqt h GLN 118 CO -0.28 0.29 -0.01 0.82 -0.67 0.00 0.00 178.83 178.98 2oqt h ILE 119 N -0.72 0.39 -0.62 2.54 1.08 -1.17 -1.08 117.51 117.93 2oqt h ILE 119 Ca -0.02 -0.03 -0.09 0.00 -0.39 0.00 0.00 64.86 64.33 2oqt h ILE 119 Cb 0.53 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 2oqt h ILE 119 CO 0.03 0.02 0.02 0.58 -0.69 0.00 0.00 178.15 178.11 2oqt h VAL 120 N 0.10 1.27 -0.63 1.67 2.07 0.60 -2.43 116.25 118.89 2oqt h VAL 120 Ca 0.37 -1.13 0.13 0.00 0.82 0.00 0.00 66.70 66.89 2oqt h VAL 120 Cb 0.63 0.77 -0.10 0.00 -1.52 0.00 0.00 31.29 31.07 2oqt h VAL 120 CO -0.62 0.41 0.03 0.00 0.02 0.00 0.00 177.57 177.41 2oqt h ALA 121 N 1.00 0.65 -0.29 1.67 0.00 0.11 0.10 119.26 122.50 2oqt h ALA 121 Ca 0.18 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 2oqt h ALA 121 Cb 0.54 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2oqt h ALA 121 CO 0.03 -0.38 -0.30 1.25 0.00 0.00 0.00 179.25 179.85 2oqt h LEU 122 N 0.14 0.63 -0.35 0.00 5.85 -0.93 -2.99 115.31 117.67 2oqt h LEU 122 Ca 0.33 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2oqt h LEU 122 Cb 0.54 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2oqt h LEU 122 CO -0.52 0.90 -0.39 0.49 -0.34 0.00 0.00 178.44 178.57 2oqt n PHE 123 N -4.08 0.00 0.27 1.25 3.72 -0.94 -3.51 117.46 114.16 2oqt n PHE 123 Ca -0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.54 2oqt n PHE 123 Cb 0.46 -0.15 0.69 0.00 -0.94 0.00 0.00 39.48 39.54 2oqt n PHE 123 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2oqt h GLU 124 N 0.85 0.00 -6.90 -1.08 4.39 -0.82 -3.43 114.58 107.59 2oqt h GLU 124 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2oqt h GLU 124 Cb 0.52 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.30 2oqt h GLU 124 CO 0.00 0.09 0.54 1.28 -1.16 0.00 0.00 179.01 179.76 2oqt n LEU 125 N -3.29 4.53 -4.71 1.33 4.77 -1.23 -4.90 117.00 113.51 2oqt n LEU 125 Ca -0.00 1.08 -0.42 0.00 -0.03 0.00 0.00 56.01 56.63 2oqt n LEU 125 Cb 0.30 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.83 2oqt n LEU 125 CO 0.29 -0.57 1.26 -1.81 -1.33 0.00 0.00 177.39 175.23 2oqt s ASP 126 N -0.61 6.61 -1.57 -1.43 -0.00 -1.26 -2.36 116.67 116.05 2oqt s ASP 126 Ca 0.63 2.54 0.00 0.00 -0.00 0.00 0.00 52.55 55.73 2oqt s ASP 126 Cb -0.47 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 39.87 2oqt s ASP 126 CO 0.56 -0.84 0.00 -3.20 -0.00 0.00 0.00 175.17 171.69 2oqt n ASN 127 N 4.66 -5.27 -0.05 0.27 4.05 -1.26 -4.87 115.26 112.80 2oqt n ASN 127 Ca 0.15 0.01 -0.10 0.00 0.45 0.00 0.00 54.58 55.08 2oqt n ASN 127 Cb 0.40 -4.34 -0.04 0.00 1.23 0.00 0.00 39.78 37.02 2oqt n ASN 127 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2oqt h ALA 128 N 0.82 -0.42 -0.06 5.20 0.00 -1.73 0.30 119.26 123.36 2oqt h ALA 128 Ca -0.43 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2oqt h ALA 128 Cb 1.31 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 2oqt h ALA 128 CO 0.51 -0.84 0.02 -0.84 0.00 0.00 0.00 179.25 178.10 2oqt h ILE 129 N -0.39 1.14 0.00 0.00 -0.00 -1.90 0.92 117.51 117.29 2oqt h ILE 129 Ca 0.11 -0.43 -0.00 0.00 -0.00 0.00 0.00 64.86 64.54 2oqt h ILE 129 Cb 0.58 1.33 -0.00 0.00 -0.00 0.00 0.00 36.82 38.73 2oqt h ILE 129 CO -0.45 0.12 -0.02 -0.08 -0.00 0.00 0.00 178.15 177.72 2oqt h GLU 130 N -0.08 0.00 -0.07 0.16 4.81 -1.78 0.35 114.58 117.98 2oqt h GLU 130 Ca 0.02 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 2oqt h GLU 130 Cb 0.17 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.56 2oqt h GLU 130 CO -0.00 0.02 -0.50 -0.09 -0.73 0.00 0.00 179.01 177.71 2oqt h ARG 131 N 0.00 0.46 0.32 1.92 2.43 0.14 -2.90 114.38 116.75 2oqt h ARG 131 Ca -0.00 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.76 2oqt h ARG 131 Cb 0.04 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2oqt h ARG 131 CO 0.00 1.04 -0.25 -0.07 -1.51 0.00 0.00 179.97 179.19 2oqt h LEU 132 N 0.01 -0.64 -2.06 3.80 -0.00 -0.18 -2.60 115.31 113.65 2oqt h LEU 132 Ca -0.04 0.05 0.11 0.00 -0.00 0.00 0.00 57.88 58.00 2oqt h LEU 132 Cb 1.16 0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 42.01 2oqt h LEU 132 CO 0.10 -0.38 0.34 0.58 -0.00 0.00 0.00 178.44 179.08 2oqt h VAL 133 N -0.57 0.56 0.00 1.22 2.07 -1.04 -2.27 116.25 116.22 2oqt h VAL 133 Ca -0.02 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 2oqt h VAL 133 Cb 0.50 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2oqt h VAL 133 CO -0.01 0.00 -0.68 0.00 0.02 0.00 0.00 177.57 176.90 2oqt h ALA 134 N 1.68 0.59 -1.84 1.67 0.00 -1.25 -3.47 119.26 116.64 2oqt h ALA 134 Ca 0.18 -0.62 -0.62 0.00 0.00 0.00 0.00 54.91 53.86 2oqt h ALA 134 Cb 0.86 -0.11 0.12 0.00 0.00 0.00 0.00 17.79 18.66 2oqt h ALA 134 CO -0.00 0.85 -0.14 0.00 0.00 0.00 0.00 179.25 179.96 2oqt n GLN 136 N 0.69 1.81 -3.63 0.00 1.13 -1.26 -4.89 117.38 111.22 2oqt n GLN 136 Ca 0.12 -0.66 -0.15 0.00 -1.94 0.00 0.00 57.00 54.37 2oqt n GLN 136 Cb 0.33 -1.24 -0.07 0.00 0.11 0.00 0.00 30.24 29.37 2oqt n GLN 136 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2oqt s SER 137 N -1.91 -0.61 0.34 1.08 1.04 -1.26 -5.01 113.70 107.37 2oqt s SER 137 Ca 0.11 1.01 0.13 0.00 0.48 0.00 0.00 55.95 57.68 2oqt s SER 137 Cb 0.12 0.99 1.08 0.00 0.10 0.00 0.00 66.02 68.31 2oqt s SER 137 CO 0.42 -0.34 1.59 -0.65 0.98 0.00 0.00 173.24 175.24 2oqt h PRO 138 N 4.47 0.06 -0.86 4.02 0.11 -1.95 -0.74 132.00 137.12 2oqt h PRO 138 Ca -0.28 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 2oqt h PRO 138 Cb 1.16 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2oqt h PRO 138 CO 0.21 0.04 0.53 -0.22 -0.21 0.00 0.00 178.00 178.36 2oqt h LYS 139 N 0.06 1.15 -0.75 1.05 1.63 -1.98 -0.23 116.57 117.50 2oqt h LYS 139 Ca 0.73 -0.09 0.08 0.00 -0.85 0.00 0.00 60.65 60.52 2oqt h LYS 139 Cb 1.76 -0.25 -0.05 0.00 -0.60 0.00 0.00 32.23 33.10 2oqt h LYS 139 CO -0.78 0.79 0.49 0.93 -3.45 0.00 0.00 179.45 177.43 2oqt h GLU 140 N 1.17 0.69 -0.05 1.90 5.08 -1.54 0.15 114.58 121.98 2oqt h GLU 140 Ca 0.31 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2oqt h GLU 140 Cb -0.08 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 2oqt h GLU 140 CO -0.06 0.46 -0.04 0.28 -1.00 0.00 0.00 179.01 178.64 2oqt h VAL 141 N 0.71 1.37 -0.74 3.13 2.07 -0.93 -3.08 116.25 118.79 2oqt h VAL 141 Ca 0.34 -1.17 0.11 0.00 0.82 0.00 0.00 66.70 66.80 2oqt h VAL 141 Cb 0.38 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 2oqt h VAL 141 CO -0.12 0.32 0.49 -0.07 0.02 0.00 0.00 177.57 178.20 2oqt h LEU 142 N -0.32 0.51 -1.24 2.57 4.07 -0.40 -1.21 115.31 119.28 2oqt h LEU 142 Ca 0.01 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2oqt h LEU 142 Cb 0.53 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.18 2oqt h LEU 142 CO 0.01 0.29 0.00 -0.62 -1.08 0.00 0.00 178.44 177.04 2oqt n GLU 143 N -4.49 0.25 0.00 1.13 1.02 0.48 -1.24 120.64 117.79 2oqt n GLU 143 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2oqt n GLU 143 Cb 0.40 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 2oqt n GLU 143 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2oqt n VAL 145 N 0.50 0.00 0.10 2.62 0.31 -0.46 -0.48 118.33 120.92 2oqt n VAL 145 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2oqt n VAL 145 Cb 0.08 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.93 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 -0.27 0.00 5.55 4.57 -1.44 -2.37 114.58 120.62 2oqt h GLU 146 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2oqt h GLU 146 Cb 0.00 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2oqt h GLU 146 CO 0.00 0.10 0.28 1.49 -1.18 0.00 0.00 179.01 179.70 2oqt h GLU 147 N -0.74 0.00 -0.00 1.92 4.81 -1.04 0.19 114.58 119.72 2oqt h GLU 147 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2oqt h GLU 147 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2oqt h GLU 147 CO 0.05 0.00 -0.07 0.45 -0.73 0.00 0.00 179.01 178.71 2oqt n SER 148 N -2.21 0.16 0.10 1.04 2.88 -0.89 -3.92 113.62 110.78 2oqt n SER 148 Ca -0.01 -0.08 0.12 0.00 -1.33 0.00 0.00 58.87 57.58 2oqt n SER 148 Cb 0.30 -0.25 0.45 0.00 -0.75 0.00 0.00 64.21 63.96 2oqt n SER 148 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2oqt n LYS 149 N -1.28 0.20 -3.22 -1.46 5.02 0.05 -4.24 118.16 113.23 2oqt n LYS 149 Ca 0.12 0.29 -0.46 0.00 -2.02 0.00 0.00 58.31 56.23 2oqt n LYS 149 Cb 0.29 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 2oqt n LYS 149 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2oqt s ASP 150 N -4.21 6.67 0.00 4.39 1.01 -1.25 -4.82 116.67 118.46 2oqt s ASP 150 Ca 0.08 -2.43 0.00 0.00 0.71 0.00 0.00 52.55 50.91 2oqt s ASP 150 Cb 0.11 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.78 2oqt s ASP 150 CO 0.49 -0.73 0.00 -0.24 0.21 0.00 0.00 175.17 174.89 2oqt n SER 151 N 4.78 0.00 -4.53 0.27 2.88 -1.26 -5.02 113.62 110.73 2oqt n SER 151 Ca 0.14 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.26 2oqt n SER 151 Cb 0.47 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.85 2oqt n SER 151 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2oqt s PRO 152 N -0.30 3.45 0.00 -1.46 0.04 -1.26 -5.12 135.00 130.34 2oqt s PRO 152 Ca 0.00 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.70 2oqt s PRO 152 Cb 0.00 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.67 2oqt s PRO 152 CO 0.00 -0.75 0.13 0.66 0.04 0.00 0.00 177.00 177.08