#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 -0.72 0.06 0.00 3.84 -1.26 -5.17 114.94 111.70 2oqt s ASN 2 Ca 0.00 1.17 -0.25 0.00 0.21 0.00 0.00 52.86 53.99 2oqt s ASN 2 Cb 0.00 1.28 -0.17 0.00 -0.55 0.00 0.00 41.25 41.81 2oqt s ASN 2 CO 0.00 -0.19 1.59 0.25 -2.79 0.00 0.00 177.10 175.96 2oqt h LEU 3 N 6.31 -0.15 -0.34 3.21 5.85 -1.98 0.36 115.31 128.56 2oqt h LEU 3 Ca -0.29 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.41 2oqt h LEU 3 Cb 1.21 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 2oqt h LEU 3 CO 0.17 0.00 -0.17 0.50 -0.34 0.00 0.00 178.44 178.60 2oqt h LYS 4 N -0.30 -0.12 -0.25 1.25 3.11 -1.96 -1.79 116.57 116.52 2oqt h LYS 4 Ca -0.02 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.80 2oqt h LYS 4 Cb 0.24 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 2oqt h LYS 4 CO 0.03 -0.08 0.04 0.37 -2.81 0.00 0.00 179.45 177.00 2oqt h GLN 5 N -0.12 0.41 -0.86 1.90 5.75 -1.97 -2.40 115.11 117.82 2oqt h GLN 5 Ca 0.17 -0.11 0.16 0.00 -0.15 0.00 0.00 58.65 58.72 2oqt h GLN 5 Cb 0.38 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.82 2oqt h GLN 5 CO -0.42 0.54 0.56 0.00 -2.65 0.00 0.00 178.83 176.86 2oqt h ALA 6 N 0.86 1.96 -0.00 3.38 0.00 -0.72 0.15 119.26 124.89 2oqt h ALA 6 Ca 0.08 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2oqt h ALA 6 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2oqt h ALA 6 CO 0.00 -0.20 -0.80 -0.07 0.00 0.00 0.00 179.25 178.18 2oqt h LEU 7 N 0.58 0.07 0.12 0.00 4.07 -0.93 -2.82 115.31 116.39 2oqt h LEU 7 Ca 0.44 -0.05 -0.18 0.00 0.08 0.00 0.00 57.88 58.16 2oqt h LEU 7 Cb 0.83 -0.02 0.02 0.00 1.08 0.00 0.00 40.66 42.57 2oqt h LEU 7 CO -0.18 0.83 -0.79 0.40 -1.08 0.00 0.00 178.44 177.62 2oqt h ILE 8 N 0.03 1.50 0.00 1.22 2.04 -0.77 0.78 117.51 122.31 2oqt h ILE 8 Ca -0.02 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.37 2oqt h ILE 8 Cb 1.40 3.12 0.00 0.00 -0.74 0.00 0.00 36.82 40.60 2oqt h ILE 8 CO 0.11 0.70 0.00 0.44 0.00 0.00 0.00 178.15 179.40 2oqt h ASP 9 N -0.33 0.00 0.00 1.72 3.32 -0.69 -2.07 116.42 118.37 2oqt h ASP 9 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2oqt h ASP 9 Cb 1.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.15 2oqt h ASP 9 CO 0.15 0.00 -0.45 0.59 -1.72 0.00 0.00 179.24 177.81 2oqt n ASN 10 N -2.66 1.61 -3.60 6.45 3.02 -1.07 -5.02 115.26 114.00 2oqt n ASN 10 Ca -0.01 -0.36 -0.27 0.00 -0.03 0.00 0.00 54.58 53.91 2oqt n ASN 10 Cb 0.11 1.04 0.05 0.00 -0.61 0.00 0.00 39.78 40.36 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 -1.23 -4.95 -0.64 6.41 5.03 -0.40 -4.62 115.26 114.85 2oqt n ASN 11 Ca 0.00 -0.93 0.11 0.00 0.87 0.00 0.00 54.58 54.64 2oqt n ASN 11 Cb 0.04 -3.85 0.05 0.00 -1.02 0.00 0.00 39.78 35.00 2oqt n ASN 11 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2oqt n SER 12 N -2.85 2.31 -4.73 6.41 7.64 0.13 -4.92 113.62 117.61 2oqt n SER 12 Ca -0.12 -1.65 -0.39 0.00 1.01 0.00 0.00 58.87 57.71 2oqt n SER 12 Cb 0.61 0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 64.07 2oqt n SER 12 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oqt s ILE 13 N -2.32 5.02 0.05 0.44 1.01 -1.26 -1.73 121.20 122.41 2oqt s ILE 13 Ca 0.22 1.36 0.06 0.00 0.00 0.00 0.00 60.65 62.29 2oqt s ILE 13 Cb 0.19 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2oqt s ILE 13 CO 0.48 0.30 -0.17 -0.13 0.00 0.00 0.00 174.94 175.42 2oqt s ARG 14 N 0.56 1.11 -0.10 2.79 1.81 0.38 -4.97 118.95 120.52 2oqt s ARG 14 Ca 0.35 -0.89 0.01 0.00 -1.72 0.00 0.00 55.73 53.48 2oqt s ARG 14 Cb -0.18 -1.19 0.02 0.00 -0.45 0.00 0.00 34.95 33.15 2oqt s ARG 14 CO 0.17 0.29 -0.12 -0.51 -0.68 0.00 0.00 175.30 174.46 2oqt s LEU 15 N -1.31 1.53 -0.94 2.53 1.43 -1.26 -2.42 118.68 118.24 2oqt s LEU 15 Ca 0.04 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2oqt s LEU 15 Cb -0.09 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 2oqt s LEU 15 CO 0.02 -0.03 0.80 0.61 0.23 0.00 0.00 176.35 177.98 2oqt n GLY 16 N 4.36 -0.45 3.97 -3.19 0.00 -0.76 -4.92 105.19 104.21 2oqt n GLY 16 Ca -0.18 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.35 2.99 -0.05 0.99 1.43 0.23 -4.62 118.68 114.29 2oqt s LEU 17 Ca 0.15 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2oqt s LEU 17 Cb -0.02 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.78 2oqt s LEU 17 CO 0.61 -1.73 -0.10 -0.44 0.23 0.00 0.00 176.35 174.91 2oqt s SER 18 N -4.64 1.45 0.01 2.29 0.01 -1.26 -1.32 113.70 110.24 2oqt s SER 18 Ca 0.64 -0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.64 2oqt s SER 18 Cb -0.07 -0.59 -0.01 0.00 0.21 0.00 0.00 66.02 65.56 2oqt s SER 18 CO 0.44 0.03 0.04 0.00 0.41 0.00 0.00 173.24 174.15 2oqt s ALA 19 N 0.55 -0.05 -0.15 1.44 0.00 -1.26 -4.96 121.76 117.32 2oqt s ALA 19 Ca -0.10 -0.41 0.15 0.00 0.00 0.00 0.00 51.96 51.60 2oqt s ALA 19 Cb -0.13 0.13 -0.21 0.00 0.00 0.00 0.00 23.12 22.91 2oqt s ALA 19 CO 0.02 -0.18 0.10 -0.25 0.00 0.00 0.00 175.76 175.45 2oqt n ASP 20 N 1.55 0.92 -4.54 0.00 10.43 -1.26 -4.87 116.55 118.78 2oqt n ASP 20 Ca -0.23 0.00 -0.26 0.00 2.57 0.00 0.00 54.79 56.87 2oqt n ASP 20 Cb 0.55 1.02 -0.11 0.00 1.84 0.00 0.00 41.12 44.42 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 -2.50 2.12 0.13 -3.53 -4.23 -1.26 -4.86 115.64 101.51 2oqt s THR 21 Ca -0.08 -2.17 0.14 0.00 -1.18 0.00 0.00 61.69 58.40 2oqt s THR 21 Cb 0.06 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.27 2oqt s THR 21 CO 0.69 -0.19 1.59 4.11 -0.54 0.00 0.00 174.62 180.28 2oqt h TRP 22 N 2.03 0.00 -0.48 3.99 5.08 -1.95 -2.68 115.95 121.94 2oqt h TRP 22 Ca -0.42 0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.58 2oqt h TRP 22 Cb 1.25 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.37 2oqt h TRP 22 CO 0.75 0.55 0.26 1.96 -1.28 0.00 0.00 178.44 180.67 2oqt h GLN 23 N 0.00 0.50 -0.83 0.12 7.50 -1.96 -1.10 115.11 119.34 2oqt h GLN 23 Ca -0.01 -0.03 0.09 0.00 0.50 0.00 0.00 58.65 59.20 2oqt h GLN 23 Cb 1.15 -0.11 -0.07 0.00 0.05 0.00 0.00 27.48 28.50 2oqt h GLN 23 CO 0.07 0.33 0.48 0.93 -1.50 0.00 0.00 178.83 179.14 2oqt h GLU 24 N 0.51 0.80 -0.09 1.46 3.07 -1.92 -1.92 114.58 116.49 2oqt h GLU 24 Ca 0.20 -0.05 -0.19 0.00 -0.50 0.00 0.00 59.36 58.82 2oqt h GLU 24 Cb 0.08 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 2oqt h GLU 24 CO -0.12 0.53 -0.75 0.00 -1.40 0.00 0.00 179.01 177.27 2oqt h ALA 25 N 1.44 0.53 -0.14 3.43 0.00 -1.29 -1.72 119.26 121.52 2oqt h ALA 25 Ca 0.39 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2oqt h ALA 25 Cb 0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2oqt h ALA 25 CO -0.23 0.75 -0.03 0.28 0.00 0.00 0.00 179.25 180.01 2oqt h VAL 26 N 0.33 1.29 -0.47 0.00 2.07 -1.07 -0.72 116.25 117.67 2oqt h VAL 26 Ca -0.04 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 66.59 2oqt h VAL 26 Cb 1.33 1.66 -0.08 0.00 -1.52 0.00 0.00 31.29 32.68 2oqt h VAL 26 CO 0.13 0.29 0.00 -0.09 0.02 0.00 0.00 177.57 177.92 2oqt h ARG 27 N -0.04 0.11 0.00 1.57 2.43 -1.22 -0.66 114.38 116.58 2oqt h ARG 27 Ca 0.04 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2oqt h ARG 27 Cb 0.46 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2oqt h ARG 27 CO 0.01 0.07 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.28 2oqt h LEU 28 N 0.12 0.00 0.00 3.80 3.38 -1.18 -1.17 115.31 120.25 2oqt h LEU 28 Ca 0.24 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 2oqt h LEU 28 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2oqt h LEU 28 CO -0.39 0.19 -0.94 0.00 0.09 0.00 0.00 178.44 177.39 2oqt h ALA 29 N 1.81 0.59 0.00 1.53 0.00 0.31 -3.28 119.26 120.21 2oqt h ALA 29 Ca -0.00 -0.76 -0.21 0.00 0.00 0.00 0.00 54.91 53.94 2oqt h ALA 29 Cb 0.43 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2oqt h ALA 29 CO 0.03 0.95 -1.48 0.28 0.00 0.00 0.00 179.25 179.02 2oqt h VAL 30 N 0.00 0.66 -0.48 0.00 2.07 -0.91 -3.40 116.25 114.19 2oqt h VAL 30 Ca -0.06 -2.29 0.09 0.00 0.82 0.00 0.00 66.70 65.25 2oqt h VAL 30 Cb 1.59 2.20 -0.10 0.00 -1.52 0.00 0.00 31.29 33.46 2oqt h VAL 30 CO 0.08 0.38 -0.37 -0.61 0.02 0.00 0.00 177.57 177.06 2oqt h GLN 31 N 0.00 -0.24 0.00 1.57 5.75 -1.28 0.24 115.11 121.16 2oqt h GLN 31 Ca -0.20 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 2oqt h GLN 31 Cb 1.74 0.05 0.00 0.00 1.07 0.00 0.00 27.48 30.34 2oqt h GLN 31 CO 0.06 -0.16 0.11 -2.30 -2.65 0.00 0.00 178.83 173.89 2oqt n PRO 32 N -5.42 0.00 -0.01 -2.39 -0.02 -1.26 0.26 135.00 126.17 2oqt n PRO 32 Ca 0.02 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 2oqt n PRO 32 Cb 0.35 -1.61 -0.12 0.00 -0.02 0.00 0.00 33.50 32.09 2oqt n PRO 32 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2oqt n LEU 33 N -1.28 0.14 -0.03 2.45 4.32 0.05 -2.99 117.00 119.66 2oqt n LEU 33 Ca 0.00 -0.09 -0.18 0.00 -0.02 0.00 0.00 56.01 55.72 2oqt n LEU 33 Cb 0.11 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.78 2oqt n LEU 33 CO 0.00 0.04 0.05 0.40 -1.22 0.00 0.00 177.39 176.66 2oqt h ILE 34 N 0.00 1.49 -0.99 -0.08 2.04 0.05 0.11 117.51 120.11 2oqt h ILE 34 Ca 0.00 -2.38 0.34 0.00 1.00 0.00 0.00 64.86 63.82 2oqt h ILE 34 Cb 0.71 3.08 -0.18 0.00 -0.74 0.00 0.00 36.82 39.68 2oqt h ILE 34 CO 0.00 0.61 0.29 0.44 0.00 0.00 0.00 178.15 179.49 2oqt h ASP 35 N -0.74 -0.06 -0.53 1.72 3.32 -1.00 -0.23 116.42 118.90 2oqt h ASP 35 Ca -0.13 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2oqt h ASP 35 Cb 1.32 0.37 0.00 0.00 0.22 0.00 0.00 39.33 41.24 2oqt h ASP 35 CO 0.02 -0.39 0.00 -1.54 -1.72 0.00 0.00 179.24 175.61 2oqt n SER 36 N -5.36 3.04 -2.21 6.45 3.41 -1.16 -4.93 113.62 112.86 2oqt n SER 36 Ca 0.31 -2.07 -0.10 0.00 -0.26 0.00 0.00 58.87 56.75 2oqt n SER 36 Cb 1.02 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.57 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 1.01 -2.15 0.06 4.33 4.76 -0.10 -4.90 118.16 121.18 2oqt n LYS 37 Ca 0.18 0.49 -0.14 0.00 -2.87 0.00 0.00 58.31 55.98 2oqt n LYS 37 Cb 0.50 -4.99 -0.05 0.00 -1.84 0.00 0.00 35.03 28.65 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 1.01 0.35 -2.19 7.82 0.00 -1.11 -3.45 119.26 121.69 2oqt h ALA 38 Ca -0.23 -0.70 -0.41 0.00 0.00 0.00 0.00 54.91 53.57 2oqt h ALA 38 Cb 1.06 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 2oqt h ALA 38 CO 0.28 0.79 -0.59 0.14 0.00 0.00 0.00 179.25 179.87 2oqt s VAL 39 N -3.31 0.68 0.32 0.00 -7.23 -0.20 -0.93 120.40 109.74 2oqt s VAL 39 Ca -0.06 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.19 2oqt s VAL 39 Cb 0.09 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2oqt s VAL 39 CO 0.87 0.00 0.10 -0.89 -0.31 0.00 0.00 175.10 174.87 2oqt s THR 40 N -3.56 3.10 0.40 5.32 2.01 0.86 -4.00 115.64 119.77 2oqt s THR 40 Ca 0.36 -1.76 0.13 0.00 0.31 0.00 0.00 61.69 60.72 2oqt s THR 40 Cb 0.07 -2.94 0.34 0.00 0.01 0.00 0.00 72.50 69.98 2oqt s THR 40 CO 0.15 -0.23 1.92 0.77 -0.69 0.00 0.00 174.62 176.54 2oqt h SER 41 N 1.64 0.48 0.00 3.53 4.64 -1.98 -1.33 113.55 120.54 2oqt h SER 41 Ca -0.44 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2oqt h SER 41 Cb 1.25 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2oqt h SER 41 CO 0.63 0.26 0.12 0.00 -0.87 0.00 0.00 176.83 176.96 2oqt h ALA 42 N 1.64 1.09 -0.02 5.18 0.00 -1.90 0.18 119.26 125.43 2oqt h ALA 42 Ca 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 2oqt h ALA 42 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2oqt h ALA 42 CO -0.13 -0.09 -0.21 -0.92 0.00 0.00 0.00 179.25 177.89 2oqt h TYR 43 N 0.00 0.26 0.06 0.00 3.20 -1.30 -1.16 116.97 118.03 2oqt h TYR 43 Ca 0.00 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.76 2oqt h TYR 43 Cb 0.23 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 2oqt h TYR 43 CO 0.00 0.87 -0.52 -0.92 -1.64 0.00 0.00 178.16 175.95 2oqt h TYR 44 N -0.43 -1.51 -0.98 -3.82 3.20 -0.76 -1.22 116.97 111.44 2oqt h TYR 44 Ca -0.02 0.04 0.28 0.00 3.14 0.00 0.00 58.73 62.17 2oqt h TYR 44 Cb 0.91 0.65 -0.18 0.00 1.54 0.00 0.00 36.73 39.65 2oqt h TYR 44 CO 0.16 -0.57 0.05 -0.44 -1.64 0.00 0.00 178.16 175.72 2oqt h ASP 45 N -0.70 -0.44 0.59 -2.11 3.45 -1.48 0.60 116.42 116.34 2oqt h ASP 45 Ca 0.00 0.28 -0.06 0.00 0.43 0.00 0.00 57.03 57.68 2oqt h ASP 45 Cb 0.72 0.47 -0.01 0.00 -0.56 0.00 0.00 39.33 39.96 2oqt h ASP 45 CO -0.31 -0.35 -0.26 0.00 -1.57 0.00 0.00 179.24 176.74 2oqt h ALA 46 N 1.98 1.18 -0.13 3.45 0.00 -0.43 -1.01 119.26 124.30 2oqt h ALA 46 Ca 0.61 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 55.08 2oqt h ALA 46 Cb 1.27 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2oqt h ALA 46 CO -0.91 0.33 -0.69 0.82 0.00 0.00 0.00 179.25 178.80 2oqt h ILE 47 N 0.00 1.31 -0.42 0.00 2.04 0.13 -1.79 117.51 118.78 2oqt h ILE 47 Ca -0.00 -1.93 -0.03 0.00 1.00 0.00 0.00 64.86 63.90 2oqt h ILE 47 Cb 0.63 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 2oqt h ILE 47 CO 0.03 0.60 0.15 0.40 0.00 0.00 0.00 178.15 179.34 2oqt h ILE 48 N 0.38 1.21 -0.42 -0.67 1.08 -1.03 0.33 117.51 118.38 2oqt h ILE 48 Ca -0.05 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 2oqt h ILE 48 Cb 1.33 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 2oqt h ILE 48 CO 0.14 0.24 0.17 0.00 -0.69 0.00 0.00 178.15 178.01 2oqt h ALA 49 N 1.00 0.55 0.00 1.87 0.00 -1.21 -0.52 119.26 120.94 2oqt h ALA 49 Ca 0.14 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2oqt h ALA 49 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2oqt h ALA 49 CO -0.01 0.15 -0.54 0.77 0.00 0.00 0.00 179.25 179.62 2oqt h SER 50 N 0.54 0.00 -0.39 0.00 0.02 -0.99 -1.90 113.55 110.82 2oqt h SER 50 Ca 0.14 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2oqt h SER 50 Cb 0.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2oqt h SER 50 CO -0.01 0.54 -0.09 0.74 -1.14 0.00 0.00 176.83 176.87 2oqt h THR 51 N 0.00 1.27 -1.01 -2.27 2.02 -0.67 -0.02 112.91 112.24 2oqt h THR 51 Ca -0.01 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 66.05 2oqt h THR 51 Cb 1.04 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 68.61 2oqt h THR 51 CO 0.07 0.39 0.65 -0.33 0.37 0.00 0.00 175.52 176.68 2oqt h GLU 52 N 0.57 1.20 0.00 6.66 5.08 -0.68 0.78 114.58 128.19 2oqt h GLU 52 Ca 0.10 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2oqt h GLU 52 Cb 0.61 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2oqt h GLU 52 CO 0.04 0.79 -0.96 1.57 -1.00 0.00 0.00 179.01 179.46 2oqt h LYS 53 N 1.24 0.00 0.00 2.33 2.10 -1.31 -3.40 116.57 117.53 2oqt h LYS 53 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 2oqt h LYS 53 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2oqt h LYS 53 CO -0.14 0.10 -0.35 0.66 -2.00 0.00 0.00 179.45 177.71 2oqt n TYR 54 N -2.81 0.00 -0.05 0.07 4.01 -0.03 -5.10 117.16 113.25 2oqt n TYR 54 Ca -0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.73 2oqt n TYR 54 Cb 0.63 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.64 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 1.37 -1.90 2.82 2.72 0.00 0.27 -4.58 105.19 105.90 2oqt n GLY 55 Ca 0.00 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.41 1.85 0.27 1.61 -0.04 -1.26 -4.60 135.00 130.42 2oqt n PRO 56 Ca -0.00 -1.65 0.12 0.00 -0.04 0.00 0.00 63.50 61.93 2oqt n PRO 56 Cb 0.02 -2.67 0.77 0.00 -0.04 0.00 0.00 33.50 31.59 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 6.98 0.00 -0.25 0.54 -0.00 -1.93 -2.60 116.97 119.71 2oqt h TYR 57 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.19 2oqt h TYR 57 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.11 2oqt h TYR 57 CO 1.64 0.05 0.00 2.48 -0.00 0.00 0.00 178.16 182.34 2oqt n TYR 58 N -3.97 0.32 -2.99 0.10 4.11 -1.26 -4.55 117.16 108.92 2oqt n TYR 58 Ca -0.03 -0.16 -0.44 0.00 -0.00 0.00 0.00 57.90 57.27 2oqt n TYR 58 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.48 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 -1.68 5.14 -2.22 -3.48 1.01 -0.98 -4.52 120.40 113.67 2oqt s VAL 59 Ca 0.26 -2.73 0.30 0.00 0.00 0.00 0.00 61.98 59.81 2oqt s VAL 59 Cb 0.14 -4.88 0.69 0.00 0.00 0.00 0.00 36.38 32.33 2oqt s VAL 59 CO 0.20 -1.58 1.96 0.18 0.00 0.00 0.00 175.10 175.86 2oqt n LEU 60 N 5.34 0.79 -4.66 3.92 7.99 -1.26 -4.99 117.00 124.11 2oqt n LEU 60 Ca 0.35 -0.25 -0.42 0.00 -0.01 0.00 0.00 56.01 55.68 2oqt n LEU 60 Cb 0.42 -0.01 -0.03 0.00 -0.11 0.00 0.00 43.42 43.69 2oqt n LEU 60 CO 0.61 0.13 0.71 -2.84 -1.51 0.00 0.00 177.39 174.49 2oqt s PRO 62 N -2.04 4.28 0.00 3.23 0.02 -1.26 -5.16 135.00 134.08 2oqt s PRO 62 Ca 0.42 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.56 2oqt s PRO 62 Cb 0.21 -3.60 0.00 0.00 0.02 0.00 0.00 34.50 31.14 2oqt s PRO 62 CO 0.36 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 177.01 2oqt n GLY 63 N 3.44 0.94 0.00 0.52 0.00 -1.16 -4.96 105.19 103.97 2oqt n GLY 63 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.84 0.00 -3.64 4.61 0.00 -0.09 -0.54 120.51 119.02 2oqt n ALA 65 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2oqt n ALA 65 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.77 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 1.72 0.68 0.04 0.00 0.02 -1.23 -0.19 135.00 136.04 2oqt s PRO 67 Ca 0.00 1.05 -0.27 0.00 0.02 0.00 0.00 61.00 61.79 2oqt s PRO 67 Cb 0.00 0.20 0.09 0.00 0.02 0.00 0.00 34.50 34.81 2oqt s PRO 67 CO 0.00 -0.12 0.85 -3.38 -0.33 0.00 0.00 177.00 174.02 2oqt s HIS 68 N 1.20 -0.35 0.42 6.54 -3.43 -1.26 -1.88 115.29 116.52 2oqt s HIS 68 Ca -0.07 0.19 0.03 0.00 -0.80 0.00 0.00 55.06 54.41 2oqt s HIS 68 Cb -0.05 0.55 -0.03 0.00 -1.43 0.00 0.00 32.58 31.62 2oqt s HIS 68 CO -0.13 -0.62 0.08 0.00 -2.00 0.00 0.00 174.74 172.06 2oqt s ALA 69 N -3.24 3.11 -0.62 -1.38 0.00 -1.26 -4.82 121.76 113.55 2oqt s ALA 69 Ca 0.05 -1.25 -0.21 0.00 0.00 0.00 0.00 51.96 50.55 2oqt s ALA 69 Cb -0.01 0.53 0.08 0.00 0.00 0.00 0.00 23.12 23.72 2oqt s ALA 69 CO -0.08 -0.25 0.86 -1.21 0.00 0.00 0.00 175.76 175.08 2oqt s GLU 70 N -3.78 3.10 0.35 0.00 0.41 -1.26 -4.94 118.70 112.58 2oqt s GLU 70 Ca 0.23 -0.96 0.03 0.00 -0.41 0.00 0.00 54.97 53.86 2oqt s GLU 70 Cb 0.04 -4.22 -0.01 0.00 -1.78 0.00 0.00 34.13 28.15 2oqt s GLU 70 CO 0.12 -1.68 0.11 0.00 -0.49 0.00 0.00 175.26 173.32 2oqt n ALA 71 N 7.19 0.47 0.00 5.21 0.00 -1.26 -5.12 120.51 127.00 2oqt n ALA 71 Ca -0.05 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.63 2oqt n ALA 71 Cb 0.45 1.16 0.00 0.00 0.00 0.00 0.00 19.45 21.06 2oqt n ALA 71 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2oqt n LEU 73 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.80 117.00 110.93 2oqt n LEU 73 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.95 2oqt n LEU 73 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 2oqt n LEU 73 CO 0.27 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.27 2oqt n GLY 74 N 0.00 0.46 3.35 -3.96 0.00 -1.26 -3.63 105.19 100.15 2oqt n GLY 74 Ca 0.00 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.00 3.62 -0.05 1.61 1.01 -1.26 -0.10 120.40 123.23 2oqt s VAL 75 Ca 0.00 -0.41 0.19 0.00 0.00 0.00 0.00 61.98 61.77 2oqt s VAL 75 Cb 0.00 -2.66 -0.30 0.00 0.00 0.00 0.00 36.38 33.43 2oqt s VAL 75 CO 0.00 0.40 0.38 -3.20 0.00 0.00 0.00 175.10 172.68 2oqt n ASN 76 N 4.81 0.47 -3.67 3.32 5.15 -0.10 -4.88 115.26 120.36 2oqt n ASN 76 Ca -0.18 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.69 2oqt n ASN 76 Cb 0.51 1.76 -0.08 0.00 -0.53 0.00 0.00 39.78 41.43 2oqt n ASN 76 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2oqt s ARG 77 N -3.23 0.63 0.27 1.20 3.52 -1.17 -4.99 118.95 115.18 2oqt s ARG 77 Ca -0.08 0.91 -0.30 0.00 -0.13 0.00 0.00 55.73 56.13 2oqt s ARG 77 Cb 0.12 0.21 -0.12 0.00 -1.56 0.00 0.00 34.95 33.60 2oqt s ARG 77 CO 0.81 -0.11 1.63 -0.80 -0.81 0.00 0.00 175.30 176.02 2oqt s ASN 78 N 0.87 6.36 0.05 -2.12 0.02 -1.26 -4.69 114.94 114.19 2oqt s ASN 78 Ca -0.05 2.94 -0.27 0.00 -1.02 0.00 0.00 52.86 54.47 2oqt s ASN 78 Cb -0.05 -2.63 0.08 0.00 0.02 0.00 0.00 41.25 38.67 2oqt s ASN 78 CO -0.07 -0.94 0.68 0.00 0.02 0.00 0.00 177.10 176.79 2oqt s ALA 79 N 0.28 -1.70 0.11 0.60 0.00 -0.91 -5.02 121.76 115.12 2oqt s ALA 79 Ca 0.66 0.88 0.08 0.00 0.00 0.00 0.00 51.96 53.59 2oqt s ALA 79 Cb -0.48 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2oqt s ALA 79 CO 0.44 -0.60 -0.20 -0.06 0.00 0.00 0.00 175.76 175.34 2oqt s PHE 80 N -2.69 1.74 0.22 0.00 0.08 -1.26 -1.25 117.98 114.82 2oqt s PHE 80 Ca -0.03 -0.43 0.06 0.00 0.12 0.00 0.00 56.93 56.65 2oqt s PHE 80 Cb -0.01 -0.94 -0.05 0.00 -0.57 0.00 0.00 43.02 41.45 2oqt s PHE 80 CO -0.04 0.21 -0.08 0.00 -0.10 0.00 0.00 175.22 175.20 2oqt s ALA 81 N -1.32 1.96 -0.20 5.36 0.00 -0.71 -4.50 121.76 122.35 2oqt s ALA 81 Ca 0.07 -1.72 -0.05 0.00 0.00 0.00 0.00 51.96 50.27 2oqt s ALA 81 Cb -0.09 0.13 0.10 0.00 0.00 0.00 0.00 23.12 23.25 2oqt s ALA 81 CO 0.04 -0.06 0.34 -1.17 0.00 0.00 0.00 175.76 174.91 2oqt s LEU 82 N -3.32 -0.49 0.25 0.00 2.96 -0.71 -3.18 118.68 114.19 2oqt s LEU 82 Ca 0.24 0.50 0.08 0.00 -0.22 0.00 0.00 54.13 54.73 2oqt s LEU 82 Cb 0.02 1.00 -0.05 0.00 0.50 0.00 0.00 46.19 47.66 2oqt s LEU 82 CO 0.07 -0.27 -0.13 0.27 -1.32 0.00 0.00 176.35 174.98 2oqt s ILE 83 N 2.51 1.88 -0.02 6.68 -4.36 -0.43 -0.47 121.20 126.99 2oqt s ILE 83 Ca 0.05 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.22 2oqt s ILE 83 Cb -0.14 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.35 2oqt s ILE 83 CO -0.13 -0.45 0.01 -0.89 0.24 0.00 0.00 174.94 173.73 2oqt s THR 84 N -2.87 0.05 -0.10 8.37 2.01 -1.02 -2.54 115.64 119.54 2oqt s THR 84 Ca 0.27 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.37 2oqt s THR 84 Cb -0.00 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 2oqt s THR 84 CO 0.10 0.10 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.36 2oqt s LEU 85 N 0.88 3.44 0.13 4.42 1.43 0.05 -0.60 118.68 128.43 2oqt s LEU 85 Ca -0.08 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 2oqt s LEU 85 Cb -0.11 -1.79 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 2oqt s LEU 85 CO -0.02 0.31 1.57 0.74 0.23 0.00 0.00 176.35 179.18 2oqt h THR 86 N 4.45 0.09 -3.45 5.49 2.02 -1.46 -3.44 112.91 116.60 2oqt h THR 86 Ca -0.45 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.14 2oqt h THR 86 Cb 1.19 0.09 -0.33 0.00 -1.74 0.00 0.00 68.15 67.35 2oqt h THR 86 CO 0.57 0.00 -0.84 -0.75 0.37 0.00 0.00 175.52 174.87 2oqt s LYS 87 N -5.82 2.26 0.17 6.66 2.20 -1.26 -5.11 119.74 118.84 2oqt s LYS 87 Ca -0.15 -0.63 -0.32 0.00 -0.36 0.00 0.00 55.97 54.51 2oqt s LYS 87 Cb 0.09 -1.79 -0.16 0.00 -1.51 0.00 0.00 37.83 34.46 2oqt s LYS 87 CO 0.63 0.12 1.03 -2.30 -0.36 0.00 0.00 175.35 174.47 2oqt n PRO 88 N 3.61 0.85 -4.22 4.03 -0.02 -1.26 -4.76 135.00 133.23 2oqt n PRO 88 Ca -0.21 0.30 -0.31 0.00 -2.02 0.00 0.00 63.50 61.27 2oqt n PRO 88 Cb 0.52 -1.70 -0.09 0.00 -0.02 0.00 0.00 33.50 32.21 2oqt n PRO 88 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2oqt s VAL 89 N -0.40 3.81 -0.27 -1.45 0.11 0.84 -4.80 120.40 118.24 2oqt s VAL 89 Ca 0.72 -0.99 -0.08 0.00 -2.93 0.00 0.00 61.98 58.70 2oqt s VAL 89 Cb -0.90 -2.77 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 2oqt s VAL 89 CO 0.54 0.19 0.10 -0.89 -3.33 0.00 0.00 175.10 171.71 2oqt s THR 90 N -1.21 4.47 0.69 5.04 2.01 -1.26 0.88 115.64 126.26 2oqt s THR 90 Ca 0.23 -0.20 -0.10 0.00 0.31 0.00 0.00 61.69 61.93 2oqt s THR 90 Cb -0.11 -3.14 0.01 0.00 0.01 0.00 0.00 72.50 69.27 2oqt s THR 90 CO 0.15 0.27 1.07 -0.36 -0.69 0.00 0.00 174.62 175.05 2oqt s PHE 91 N 1.63 3.30 -1.52 4.92 0.08 0.90 -4.28 117.98 123.00 2oqt s PHE 91 Ca 0.06 0.97 0.08 0.00 0.12 0.00 0.00 56.93 58.16 2oqt s PHE 91 Cb -0.16 -3.02 0.42 0.00 -0.57 0.00 0.00 43.02 39.69 2oqt s PHE 91 CO 0.05 -1.13 1.09 -1.13 -0.10 0.00 0.00 175.22 174.00 2oqt n SER 92 N -2.94 0.00 -1.10 1.36 3.41 -1.26 -0.67 113.62 112.42 2oqt n SER 92 Ca 0.07 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 2oqt n SER 92 Cb 0.57 -0.24 0.22 0.00 -0.26 0.00 0.00 64.21 64.50 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 -1.24 3.30 0.00 4.04 5.75 -1.26 -4.96 116.55 122.18 2oqt n ASP 93 Ca 0.04 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 2oqt n ASP 93 Cb 0.06 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 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 1.47 0.91 3.79 6.12 0.00 0.15 -5.06 105.19 112.57 2oqt n GLY 94 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.58 4.48 -0.18 1.61 1.02 -1.25 -4.79 119.74 120.05 2oqt s LYS 95 Ca 0.00 1.16 -0.08 0.00 0.02 0.00 0.00 55.97 57.07 2oqt s LYS 95 Cb 0.00 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 2oqt s LYS 95 CO 0.00 0.36 0.09 -1.21 -0.92 0.00 0.00 175.35 173.67 2oqt s GLU 96 N -1.88 3.96 -0.04 1.68 2.02 -1.26 -0.07 118.70 123.11 2oqt s GLU 96 Ca 0.46 -0.29 0.05 0.00 0.02 0.00 0.00 54.97 55.20 2oqt s GLU 96 Cb -0.19 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 2oqt s GLU 96 CO 0.24 0.34 -0.19 0.08 0.02 0.00 0.00 175.26 175.75 2oqt s VAL 97 N 0.20 1.54 0.00 2.63 1.01 0.25 -2.98 120.40 123.06 2oqt s VAL 97 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2oqt s VAL 97 Cb -0.12 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2oqt s VAL 97 CO -0.00 0.44 0.00 -1.20 0.00 0.00 0.00 175.10 174.34 2oqt n SER 98 N 3.06 4.40 -3.93 3.32 7.64 0.30 -0.11 113.62 128.29 2oqt n SER 98 Ca -0.18 -0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.43 2oqt n SER 98 Cb 0.53 0.89 -0.17 0.00 -1.01 0.00 0.00 64.21 64.45 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 -1.77 1.13 -0.29 0.44 1.01 -0.20 -0.77 120.40 119.95 2oqt s VAL 99 Ca 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 2oqt s VAL 99 Cb 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.27 2oqt s VAL 99 CO 0.00 0.38 0.06 -0.76 0.00 0.00 0.00 175.10 174.78 2oqt s LEU 100 N 1.60 3.77 -0.98 3.92 1.02 -1.05 -0.91 118.68 126.04 2oqt s LEU 100 Ca 0.04 -0.74 -0.09 0.00 0.02 0.00 0.00 54.13 53.35 2oqt s LEU 100 Cb -0.13 -1.85 0.25 0.00 0.02 0.00 0.00 46.19 44.48 2oqt s LEU 100 CO -0.08 -0.19 0.94 -0.22 0.02 0.00 0.00 176.35 176.83 2oqt s LEU 101 N 1.47 6.30 0.26 1.79 0.20 0.74 -1.31 118.68 128.13 2oqt s LEU 101 Ca 0.02 -3.34 -0.30 0.00 0.69 0.00 0.00 54.13 51.20 2oqt s LEU 101 Cb -0.17 -2.15 -0.14 0.00 -0.43 0.00 0.00 46.19 43.30 2oqt s LEU 101 CO 0.02 -0.35 1.23 0.41 -0.29 0.00 0.00 176.35 177.37 2oqt n THR 102 N 3.03 1.40 -4.54 3.68 -1.04 -1.19 -3.52 114.28 112.10 2oqt n THR 102 Ca 0.20 -0.35 -0.25 0.00 -2.04 0.00 0.00 64.05 61.61 2oqt n THR 102 Cb 0.41 -1.24 -0.17 0.00 -1.82 0.00 0.00 70.33 67.51 2oqt n THR 102 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2oqt s LEU 103 N 0.10 1.62 -0.03 -4.42 0.20 -0.79 -1.74 118.68 113.62 2oqt s LEU 103 Ca 0.64 -0.31 0.04 0.00 0.69 0.00 0.00 54.13 55.20 2oqt s LEU 103 Cb -0.69 -0.85 -0.01 0.00 -0.43 0.00 0.00 46.19 44.21 2oqt s LEU 103 CO 0.55 0.02 -0.16 0.00 -0.29 0.00 0.00 176.35 176.47 2oqt s ALA 104 N 0.76 1.39 -0.04 5.97 0.00 -0.38 -4.50 121.76 124.97 2oqt s ALA 104 Ca -0.13 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.11 2oqt s ALA 104 Cb -0.16 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2oqt s ALA 104 CO 0.03 0.28 0.16 0.00 0.00 0.00 0.00 175.76 176.23 2oqt s ALA 105 N -0.09 -0.39 -0.55 0.00 0.00 -1.26 -2.14 121.76 117.32 2oqt s ALA 105 Ca -0.00 0.22 0.24 0.00 0.00 0.00 0.00 51.96 52.42 2oqt s ALA 105 Cb -0.09 -0.11 0.39 0.00 0.00 0.00 0.00 23.12 23.30 2oqt s ALA 105 CO 0.01 -0.14 1.42 1.79 0.00 0.00 0.00 175.76 178.85 2oqt h THR 106 N 4.60 0.00 -3.28 0.00 1.35 -1.90 -3.42 112.91 110.26 2oqt h THR 106 Ca -0.28 -0.67 -0.63 0.00 -0.55 0.00 0.00 66.41 64.29 2oqt h THR 106 Cb 1.20 1.40 -0.34 0.00 -1.73 0.00 0.00 68.15 68.68 2oqt h THR 106 CO 0.40 0.00 -0.85 -0.62 -0.25 0.00 0.00 175.52 174.20 2oqt s ASP 107 N -4.84 2.73 0.52 5.36 2.15 -1.26 -5.02 116.67 116.31 2oqt s ASP 107 Ca 0.06 -0.50 0.33 0.00 0.43 0.00 0.00 52.55 52.87 2oqt s ASP 107 Cb 0.11 -1.25 1.40 0.00 -0.30 0.00 0.00 42.92 42.88 2oqt s ASP 107 CO 0.70 0.07 1.97 1.55 -0.17 0.00 0.00 175.17 179.29 2oqt h PRO 108 N 7.16 0.00 0.00 4.34 0.13 -1.88 -2.82 132.00 138.94 2oqt h PRO 108 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2oqt h PRO 108 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2oqt h PRO 108 CO 0.50 0.00 -0.51 -1.13 -0.23 0.00 0.00 178.00 176.63 2oqt n SER 109 N -2.95 0.51 -0.27 1.44 3.41 -1.26 -3.47 113.62 111.03 2oqt n SER 109 Ca 0.01 -0.10 0.05 0.00 -0.26 0.00 0.00 58.87 58.56 2oqt n SER 109 Cb 0.27 0.19 0.15 0.00 -0.26 0.00 0.00 64.21 64.56 2oqt n SER 109 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2oqt h ILE 110 N 0.00 0.28 -0.73 -1.33 2.04 -1.92 -2.98 117.51 112.87 2oqt h ILE 110 Ca 0.00 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 65.98 2oqt h ILE 110 Cb 0.57 0.21 -0.14 0.00 -0.74 0.00 0.00 36.82 36.72 2oqt h ILE 110 CO 0.00 0.01 -0.25 0.45 0.00 0.00 0.00 178.15 178.36 2oqt h HIS 111 N 0.06 -0.61 0.03 1.37 3.86 -1.77 0.15 115.15 118.25 2oqt h HIS 111 Ca 0.41 0.07 -0.35 0.00 -1.16 0.00 0.00 60.37 59.34 2oqt h HIS 111 Cb 0.72 0.38 -0.05 0.00 1.06 0.00 0.00 27.41 29.51 2oqt h HIS 111 CO -0.49 -0.35 -2.12 0.25 0.86 0.00 0.00 177.93 176.08 2oqt n THR 112 N -5.48 1.58 0.13 2.45 -2.24 -1.21 -0.54 114.28 108.96 2oqt n THR 112 Ca 0.09 -0.72 -0.01 0.00 -2.27 0.00 0.00 64.05 61.14 2oqt n THR 112 Cb 0.38 -1.18 0.11 0.00 -2.10 0.00 0.00 70.33 67.54 2oqt n THR 112 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2oqt h THR 113 N 0.02 1.34 0.00 4.28 1.35 -1.36 -3.39 112.91 115.15 2oqt h THR 113 Ca -0.45 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 2oqt h THR 113 Cb 2.05 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.79 2oqt h THR 113 CO 0.03 0.65 -0.81 0.52 -0.25 0.00 0.00 175.52 175.66 2oqt n VAL 114 N -3.57 0.00 -0.08 6.82 0.31 -0.02 -4.87 118.33 116.93 2oqt n VAL 114 Ca -0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2oqt n VAL 114 Cb 0.69 -0.98 -0.05 0.00 -0.91 0.00 0.00 33.84 32.60 2oqt n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oqt h ALA 115 N 0.00 0.08 -0.58 3.52 0.00 -1.24 -3.33 119.26 117.71 2oqt h ALA 115 Ca 0.00 -0.64 0.10 0.00 0.00 0.00 0.00 54.91 54.37 2oqt h ALA 115 Cb 0.81 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 2oqt h ALA 115 CO 0.00 0.46 0.15 0.82 0.00 0.00 0.00 179.25 180.68 2oqt h ILE 116 N -1.00 0.70 -0.84 0.00 2.04 -1.05 -1.20 117.51 116.16 2oqt h ILE 116 Ca -0.10 -0.10 0.13 0.00 1.00 0.00 0.00 64.86 65.79 2oqt h ILE 116 Cb 0.70 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 37.07 2oqt h ILE 116 CO -0.06 0.05 0.45 -0.65 0.00 0.00 0.00 178.15 177.94 2oqt h PRO 117 N 0.30 0.65 -0.33 2.37 0.11 -1.76 0.46 132.00 133.80 2oqt h PRO 117 Ca 0.30 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 2oqt h PRO 117 Cb 0.41 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2oqt h PRO 117 CO -0.35 0.43 -0.00 1.96 -0.21 0.00 0.00 178.00 179.82 2oqt h GLN 118 N 0.67 0.59 -0.14 1.05 4.20 -1.40 -2.51 115.11 117.57 2oqt h GLN 118 Ca 0.45 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 2oqt h GLN 118 Cb 0.58 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2oqt h GLN 118 CO -0.33 0.72 0.03 0.82 -0.67 0.00 0.00 178.83 179.39 2oqt h ILE 119 N 0.39 1.21 -0.79 2.54 1.08 -0.17 -2.59 117.51 119.19 2oqt h ILE 119 Ca 0.09 -0.67 0.18 0.00 -0.39 0.00 0.00 64.86 64.07 2oqt h ILE 119 Cb 0.45 1.39 -0.12 0.00 -3.07 0.00 0.00 36.82 35.48 2oqt h ILE 119 CO 0.02 0.20 0.23 0.58 -0.69 0.00 0.00 178.15 178.49 2oqt h VAL 120 N 0.02 0.49 -0.58 1.67 2.07 -0.10 -2.19 116.25 117.63 2oqt h VAL 120 Ca 0.04 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 2oqt h VAL 120 Cb 0.28 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2oqt h VAL 120 CO 0.00 0.06 0.21 0.00 0.02 0.00 0.00 177.57 177.85 2oqt h ALA 121 N 1.65 0.76 -0.73 1.67 0.00 -1.07 -0.21 119.26 121.33 2oqt h ALA 121 Ca 0.46 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2oqt h ALA 121 Cb 0.81 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2oqt h ALA 121 CO -0.52 0.40 0.32 1.25 0.00 0.00 0.00 179.25 180.70 2oqt h LEU 122 N 0.81 0.96 0.00 0.00 5.85 -1.12 -2.94 115.31 118.88 2oqt h LEU 122 Ca 0.19 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2oqt h LEU 122 Cb 0.25 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2oqt h LEU 122 CO -0.01 0.83 -0.69 -0.26 -0.34 0.00 0.00 178.44 177.97 2oqt h PHE 123 N 1.04 0.00 0.00 1.25 0.04 -1.16 -3.13 116.94 114.98 2oqt h PHE 123 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2oqt h PHE 123 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2oqt h PHE 123 CO 0.01 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.11 2oqt n GLU 124 N -2.32 0.90 -2.83 1.51 1.02 -0.12 -4.65 120.64 114.16 2oqt n GLU 124 Ca 0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 2oqt n GLU 124 Cb 0.47 -1.28 -0.04 0.00 -0.02 0.00 0.00 31.44 30.57 2oqt n GLU 124 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2oqt s LEU 125 N -1.56 4.41 -0.20 -4.62 1.43 -1.18 -4.98 118.68 111.97 2oqt s LEU 125 Ca 0.24 1.57 -0.19 0.00 -1.03 0.00 0.00 54.13 54.72 2oqt s LEU 125 Cb 0.11 -3.42 -0.08 0.00 0.03 0.00 0.00 46.19 42.83 2oqt s LEU 125 CO 0.19 -0.13 0.65 0.47 0.23 0.00 0.00 176.35 177.76 2oqt n ASP 126 N 3.37 0.49 -3.95 2.29 9.92 -1.26 -1.73 116.55 125.67 2oqt n ASP 126 Ca 0.02 0.49 -0.37 0.00 -0.53 0.00 0.00 54.79 54.39 2oqt n ASP 126 Cb 0.50 -0.36 0.01 0.00 -0.64 0.00 0.00 41.12 40.64 2oqt n ASP 126 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2oqt n ASN 127 N 1.63 -4.48 -0.06 -2.24 2.85 -1.26 -4.93 115.26 106.77 2oqt n ASN 127 Ca 0.13 -1.15 -0.13 0.00 -0.11 0.00 0.00 54.58 53.32 2oqt n ASN 127 Cb -0.02 -1.71 -0.12 0.00 1.24 0.00 0.00 39.78 39.17 2oqt n ASN 127 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2oqt h ALA 128 N 1.48 -0.01 -0.71 5.20 0.00 -1.60 -2.94 119.26 120.68 2oqt h ALA 128 Ca -0.68 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 53.77 2oqt h ALA 128 Cb 1.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2oqt h ALA 128 CO 0.45 -0.03 0.31 -0.84 0.00 0.00 0.00 179.25 179.15 2oqt h ILE 129 N -0.95 1.24 -0.12 0.00 3.07 -1.89 0.30 117.51 119.15 2oqt h ILE 129 Ca -0.00 -0.72 -0.07 0.00 1.55 0.00 0.00 64.86 65.62 2oqt h ILE 129 Cb 0.87 0.39 -0.00 0.00 -0.27 0.00 0.00 36.82 37.80 2oqt h ILE 129 CO 0.00 0.29 -0.20 -0.33 -1.05 0.00 0.00 178.15 176.87 2oqt h GLU 130 N 1.01 0.35 -0.66 0.16 3.07 -1.99 0.49 114.58 117.02 2oqt h GLU 130 Ca 0.24 -0.21 0.14 0.00 -0.50 0.00 0.00 59.36 59.02 2oqt h GLU 130 Cb 0.16 0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 27.99 2oqt h GLU 130 CO -0.03 0.79 0.10 0.00 -1.40 0.00 0.00 179.01 178.48 2oqt h ARG 131 N -0.06 0.21 -0.67 2.33 3.08 -1.30 -0.53 114.38 117.44 2oqt h ARG 131 Ca 0.01 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2oqt h ARG 131 Cb 0.77 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 2oqt h ARG 131 CO 0.04 0.14 0.12 -0.07 -1.07 0.00 0.00 179.97 179.14 2oqt h LEU 132 N 0.22 1.04 -1.00 3.04 4.07 0.00 -2.24 115.31 120.45 2oqt h LEU 132 Ca 0.35 -0.25 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 2oqt h LEU 132 Cb 0.58 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 2oqt h LEU 132 CO -0.48 1.03 -0.13 0.58 -1.08 0.00 0.00 178.44 178.35 2oqt h VAL 133 N 1.01 1.24 -0.01 1.22 2.07 0.57 -2.86 116.25 119.50 2oqt h VAL 133 Ca 0.20 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2oqt h VAL 133 Cb 0.42 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2oqt h VAL 133 CO 0.01 0.36 -0.04 0.00 0.02 0.00 0.00 177.57 177.92 2oqt n ALA 134 N -2.48 2.68 -1.73 1.67 0.00 -0.26 -4.87 120.51 115.51 2oqt n ALA 134 Ca 0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 2oqt n ALA 134 Cb 0.34 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 2oqt n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oqt n GLN 136 N 2.65 1.18 -3.63 0.00 -0.06 -1.26 -4.92 117.38 111.34 2oqt n GLN 136 Ca 0.11 -1.44 -0.05 0.00 -2.00 0.00 0.00 57.00 53.62 2oqt n GLN 136 Cb 0.36 -1.29 -0.05 0.00 -4.06 0.00 0.00 30.24 25.19 2oqt n GLN 136 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2oqt s SER 137 N -1.23 -0.15 0.47 1.69 1.04 -1.26 -5.04 113.70 109.22 2oqt s SER 137 Ca 0.18 0.20 0.25 0.00 0.48 0.00 0.00 55.95 57.06 2oqt s SER 137 Cb 0.13 0.17 1.28 0.00 0.10 0.00 0.00 66.02 67.70 2oqt s SER 137 CO 0.19 -0.11 1.84 -0.65 0.98 0.00 0.00 173.24 175.49 2oqt h PRO 138 N 2.56 0.21 -0.65 4.02 0.11 -1.94 -0.25 132.00 136.06 2oqt h PRO 138 Ca -0.16 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.04 2oqt h PRO 138 Cb 1.18 -0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.13 2oqt h PRO 138 CO 0.22 0.14 -0.38 -0.22 -0.21 0.00 0.00 178.00 177.55 2oqt h LYS 139 N 0.22 -0.15 0.00 1.05 3.64 -1.98 0.26 116.57 119.60 2oqt h LYS 139 Ca 0.50 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.79 2oqt h LYS 139 Cb 1.58 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.42 2oqt h LYS 139 CO -0.13 -0.10 -0.50 1.05 -2.27 0.00 0.00 179.45 177.50 2oqt h GLU 140 N -0.16 0.00 0.15 1.90 4.11 -1.46 -0.16 114.58 118.96 2oqt h GLU 140 Ca 0.23 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.66 2oqt h GLU 140 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2oqt h GLU 140 CO -0.73 0.50 -0.10 0.28 0.07 0.00 0.00 179.01 179.02 2oqt h VAL 141 N 0.00 0.77 -0.12 -1.06 2.07 -1.20 -2.51 116.25 114.19 2oqt h VAL 141 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2oqt h VAL 141 Cb 1.15 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2oqt h VAL 141 CO 0.06 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.67 2oqt h LEU 142 N -0.25 0.08 -2.13 2.57 -0.00 -0.17 -1.13 115.31 114.27 2oqt h LEU 142 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2oqt h LEU 142 Cb 0.22 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2oqt h LEU 142 CO 0.00 0.06 0.00 -0.62 -0.00 0.00 0.00 178.44 177.88 2oqt n GLU 143 N -4.51 0.61 0.00 1.13 1.02 -0.10 -1.55 120.64 117.24 2oqt n GLU 143 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2oqt n GLU 143 Cb 0.14 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 0.79 0.00 -0.16 2.62 0.31 -0.43 -2.21 118.33 119.25 2oqt n VAL 145 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2oqt n VAL 145 Cb 0.31 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.23 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 0.77 -0.28 5.55 4.57 -1.57 -2.61 114.58 121.02 2oqt h GLU 146 Ca 0.00 -0.23 0.08 0.00 -1.18 0.00 0.00 59.36 58.03 2oqt h GLU 146 Cb 0.00 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 2oqt h GLU 146 CO 0.00 0.82 0.33 1.49 -1.18 0.00 0.00 179.01 180.47 2oqt h GLU 147 N 0.62 0.00 -0.15 1.92 4.81 -1.72 -1.99 114.58 118.07 2oqt h GLU 147 Ca 0.13 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 2oqt h GLU 147 Cb 0.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2oqt h GLU 147 CO 0.02 0.00 -0.60 0.77 -0.73 0.00 0.00 179.01 178.47 2oqt h SER 148 N 0.00 0.58 0.49 1.04 0.02 -1.76 -3.30 113.55 110.61 2oqt h SER 148 Ca 0.13 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2oqt h SER 148 Cb 0.79 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2oqt h SER 148 CO -0.00 1.04 0.00 0.29 -1.14 0.00 0.00 176.83 177.02 2oqt n LYS 149 N -3.93 0.14 -4.41 3.45 5.02 -0.75 -4.80 118.16 112.89 2oqt n LYS 149 Ca -0.04 0.45 -0.20 0.00 -2.02 0.00 0.00 58.31 56.51 2oqt n LYS 149 Cb 0.63 -1.81 -0.14 0.00 -0.02 0.00 0.00 35.03 33.69 2oqt n LYS 149 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2oqt s ASP 150 N -3.94 1.46 0.00 4.39 1.47 -1.25 -5.17 116.67 113.63 2oqt s ASP 150 Ca 0.03 -0.33 0.00 0.00 1.18 0.00 0.00 52.55 53.43 2oqt s ASP 150 Cb 0.08 -0.12 0.00 0.00 -0.34 0.00 0.00 42.92 42.54 2oqt s ASP 150 CO 0.31 0.08 0.00 -0.24 0.68 0.00 0.00 175.17 175.99