#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxy s THR 4 N 0.00 2.71 0.48 1.96 2.01 -1.26 -4.97 115.64 116.58 2qxy s THR 4 Ca 0.00 -2.02 -0.22 0.00 0.31 0.00 0.00 61.69 59.76 2qxy s THR 4 Cb 0.00 -2.84 -0.07 0.00 0.01 0.00 0.00 72.50 69.60 2qxy s THR 4 CO 0.00 -0.49 1.14 -2.84 -0.69 0.00 0.00 174.62 171.74 2qxy s PRO 5 N 1.06 3.65 -0.17 4.92 0.02 -1.25 -4.67 135.00 138.55 2qxy s PRO 5 Ca 0.05 1.70 -0.12 0.00 0.02 0.00 0.00 61.00 62.64 2qxy s PRO 5 Cb -0.20 -2.27 -0.05 0.00 0.02 0.00 0.00 34.50 31.99 2qxy s PRO 5 CO -0.05 -0.62 0.24 0.99 -0.33 0.00 0.00 177.00 177.22 2qxy s THR 6 N -1.64 5.34 0.39 0.99 2.01 -1.26 -0.26 115.64 121.22 2qxy s THR 6 Ca 0.66 0.42 0.00 0.00 0.31 0.00 0.00 61.69 63.09 2qxy s THR 6 Cb -0.26 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.67 2qxy s THR 6 CO 0.31 0.41 0.02 0.52 -0.69 0.00 0.00 174.62 175.19 2qxy n VAL 7 N 3.54 0.00 -3.50 3.82 0.31 0.14 -1.92 118.33 120.72 2qxy n VAL 7 Ca -0.13 -1.83 0.01 0.00 -0.01 0.00 0.00 64.34 62.37 2qxy n VAL 7 Cb 0.52 0.34 -0.04 0.00 -0.91 0.00 0.00 33.84 33.75 2qxy n VAL 7 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qxy s VAL 9 N -2.39 -0.81 -0.46 2.52 1.01 -0.08 -0.50 120.40 119.69 2qxy s VAL 9 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 2qxy s VAL 9 Cb -0.00 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.48 2qxy s VAL 9 CO 0.01 0.00 0.35 -0.69 0.00 0.00 0.00 175.10 174.77 2qxy s VAL 10 N 2.75 4.58 -0.28 2.92 1.01 0.16 -1.01 120.40 130.52 2qxy s VAL 10 Ca -0.02 -1.46 -0.24 0.00 0.00 0.00 0.00 61.98 60.25 2qxy s VAL 10 Cb -0.10 -3.87 0.10 0.00 0.00 0.00 0.00 36.38 32.50 2qxy s VAL 10 CO -0.18 -0.66 0.86 -0.62 0.00 0.00 0.00 175.10 174.50 2qxy s ASP 11 N 2.61 -0.62 0.45 3.32 -1.08 -0.63 -2.60 116.67 118.12 2qxy s ASP 11 Ca 0.04 1.18 0.24 0.00 -0.52 0.00 0.00 52.55 53.49 2qxy s ASP 11 Cb -0.25 1.20 0.99 0.00 -1.46 0.00 0.00 42.92 43.40 2qxy s ASP 11 CO 0.02 -0.20 1.86 -0.33 0.52 0.00 0.00 175.17 177.04 2qxy h GLU 12 N 4.75 0.00 -6.25 4.34 4.39 -1.83 -3.37 114.58 116.62 2qxy h GLU 12 Ca -0.29 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.84 2qxy h GLU 12 Cb 1.17 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.76 2qxy h GLU 12 CO 0.08 0.21 0.87 0.45 -1.16 0.00 0.00 179.01 179.47 2qxy s SER 13 N -6.18 6.91 0.30 1.42 0.15 -1.26 -4.90 113.70 110.15 2qxy s SER 13 Ca 0.00 1.25 0.12 0.00 0.70 0.00 0.00 55.95 58.03 2qxy s SER 13 Cb 0.11 -2.54 0.46 0.00 -1.71 0.00 0.00 66.02 62.34 2qxy s SER 13 CO 0.63 -0.86 1.66 -0.09 1.20 0.00 0.00 173.24 175.78 2qxy h ARG 14 N 8.24 0.00 -0.70 5.44 2.43 -2.00 -2.68 114.38 125.10 2qxy h ARG 14 Ca -0.22 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 2qxy h ARG 14 Cb 1.08 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 2qxy h ARG 14 CO 1.01 0.54 0.39 0.82 -1.51 0.00 0.00 179.97 181.23 2qxy h ILE 15 N 0.00 1.21 -0.47 1.20 5.03 -1.98 0.29 117.51 122.79 2qxy h ILE 15 Ca -0.01 -0.52 -0.05 0.00 -0.12 0.00 0.00 64.86 64.16 2qxy h ILE 15 Cb 1.00 0.28 -0.02 0.00 -3.03 0.00 0.00 36.82 35.05 2qxy h ILE 15 CO 0.07 0.23 0.10 0.74 -0.68 0.00 0.00 178.15 178.61 2qxy h THR 16 N 0.96 1.24 -0.41 -0.27 2.02 -1.92 -1.06 112.91 113.48 2qxy h THR 16 Ca 0.25 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.59 2qxy h THR 16 Cb 0.02 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2qxy h THR 16 CO -0.04 0.31 0.24 0.15 0.37 0.00 0.00 175.52 176.54 2qxy h PHE 17 N 0.64 0.44 -0.83 3.16 3.57 -1.09 -1.68 116.94 121.15 2qxy h PHE 17 Ca 0.15 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2qxy h PHE 17 Cb 0.35 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 2qxy h PHE 17 CO 0.02 0.25 0.39 -0.07 -2.23 0.00 0.00 178.31 176.68 2qxy h LEU 18 N 0.48 1.08 -0.17 0.59 3.38 -0.73 -0.57 115.31 119.37 2qxy h LEU 18 Ca 0.16 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qxy h LEU 18 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2qxy h LEU 18 CO -0.08 0.92 0.10 0.00 0.09 0.00 0.00 178.44 179.46 2qxy h ALA 19 N 1.25 0.22 -0.69 1.53 0.00 -0.82 0.95 119.26 121.70 2qxy h ALA 19 Ca 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2qxy h ALA 19 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2qxy h ALA 19 CO -0.03 -0.25 0.41 0.28 0.00 0.00 0.00 179.25 179.66 2qxy h VAL 20 N 0.18 1.20 -0.20 0.00 2.07 -1.03 -1.32 116.25 117.16 2qxy h VAL 20 Ca 0.06 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2qxy h VAL 20 Cb 0.06 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2qxy h VAL 20 CO -0.01 0.21 0.12 0.50 0.02 0.00 0.00 177.57 178.42 2qxy h LYS 21 N 0.95 0.27 -0.62 1.57 3.64 -0.67 -1.58 116.57 120.12 2qxy h LYS 21 Ca 0.25 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2qxy h LYS 21 Cb -0.02 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2qxy h LYS 21 CO -0.05 0.21 0.34 -0.91 -2.27 0.00 0.00 179.45 176.77 2qxy h ASN 22 N 0.25 0.77 0.94 4.20 2.35 -0.56 0.15 115.58 123.67 2qxy h ASN 22 Ca 0.07 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 2qxy h ASN 22 Cb 0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2qxy h ASN 22 CO -0.01 0.62 -0.48 0.00 -1.65 0.00 0.00 177.43 175.91 2qxy h ALA 23 N 1.50 0.88 0.00 -0.83 0.00 -0.89 -3.39 119.26 116.54 2qxy h ALA 23 Ca 0.22 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2qxy h ALA 23 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2qxy h ALA 23 CO -0.04 0.60 -1.60 1.28 0.00 0.00 0.00 179.25 179.49 2qxy n LEU 24 N -3.50 0.85 -0.24 0.00 4.77 -0.62 -4.60 117.00 113.65 2qxy n LEU 24 Ca 0.00 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 2qxy n LEU 24 Cb 0.60 0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.64 2qxy n LEU 24 CO 0.39 0.35 0.49 1.05 -1.33 0.00 0.00 177.39 178.34 2qxy h GLU 25 N 0.00 -0.19 0.00 3.23 4.11 -0.88 -0.04 114.58 120.81 2qxy h GLU 25 Ca -0.24 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2qxy h GLU 25 Cb 1.49 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2qxy h GLU 25 CO -0.00 -0.13 0.00 1.63 0.07 0.00 0.00 179.01 180.58 2qxy n LYS 26 N -5.10 0.07 -0.87 1.06 5.02 -1.26 -2.14 118.16 114.95 2qxy n LYS 26 Ca -0.01 0.48 0.07 0.00 -2.02 0.00 0.00 58.31 56.84 2qxy n LYS 26 Cb 0.28 -1.69 0.40 0.00 -0.02 0.00 0.00 35.03 33.99 2qxy n LYS 26 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qxy n ASP 27 N -1.84 5.64 -0.42 4.39 2.03 -0.03 -4.93 116.55 121.38 2qxy n ASP 27 Ca 0.01 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.40 2qxy n ASP 27 Cb 0.08 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 2qxy n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qxy n GLY 28 N 0.60 0.95 3.17 0.27 0.00 -0.91 -5.08 105.19 104.19 2qxy n GLY 28 Ca 0.28 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 2qxy n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qxy s PHE 29 N -2.80 1.59 -0.43 1.61 0.08 -1.19 -3.80 117.98 113.03 2qxy s PHE 29 Ca 0.00 -0.31 -0.15 0.00 0.12 0.00 0.00 56.93 56.59 2qxy s PHE 29 Cb 0.00 -1.01 0.03 0.00 -0.57 0.00 0.00 43.02 41.47 2qxy s PHE 29 CO 0.00 -0.02 0.33 1.21 -0.10 0.00 0.00 175.22 176.65 2qxy s ASN 30 N -0.50 6.12 -0.21 1.36 2.47 0.64 -4.24 114.94 120.59 2qxy s ASN 30 Ca 0.07 -0.98 -0.08 0.00 0.42 0.00 0.00 52.86 52.28 2qxy s ASN 30 Cb -0.07 -2.17 -0.04 0.00 -1.45 0.00 0.00 41.25 37.52 2qxy s ASN 30 CO -0.00 -0.51 0.09 -0.69 -3.72 0.00 0.00 177.10 172.27 2qxy s VAL 31 N 1.71 4.84 0.18 -5.21 1.01 -1.26 0.25 120.40 121.92 2qxy s VAL 31 Ca 0.05 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.12 2qxy s VAL 31 Cb -0.20 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2qxy s VAL 31 CO 0.09 0.41 -0.21 0.27 0.00 0.00 0.00 175.10 175.66 2qxy s ILE 32 N 0.79 2.05 -0.11 2.22 -4.36 0.34 -4.96 121.20 117.18 2qxy s ILE 32 Ca 0.05 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.47 2qxy s ILE 32 Cb -0.13 -1.97 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 2qxy s ILE 32 CO 0.02 -0.24 -0.15 0.86 0.24 0.00 0.00 174.94 175.68 2qxy s TRP 33 N -1.91 2.76 -0.16 1.37 -0.00 -1.26 -0.90 118.94 118.84 2qxy s TRP 33 Ca 0.18 -0.60 -0.00 0.00 -0.00 0.00 0.00 56.10 55.68 2qxy s TRP 33 Cb -0.07 -1.79 0.03 0.00 -0.00 0.00 0.00 33.47 31.65 2qxy s TRP 33 CO 0.08 -0.16 -0.08 0.00 -0.00 0.00 0.00 176.95 176.78 2qxy s ALA 34 N 0.15 1.63 -0.39 5.86 0.00 -0.18 -4.95 121.76 123.87 2qxy s ALA 34 Ca -0.08 -0.86 0.27 0.00 0.00 0.00 0.00 51.96 51.29 2qxy s ALA 34 Cb -0.15 -1.10 0.94 0.00 0.00 0.00 0.00 23.12 22.82 2qxy s ALA 34 CO 0.05 -0.63 1.78 1.57 0.00 0.00 0.00 175.76 178.53 2qxy h LYS 35 N 8.09 0.00 -3.49 0.00 2.10 -1.82 -1.67 116.57 119.78 2qxy h LYS 35 Ca -0.29 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.24 2qxy h LYS 35 Cb 1.12 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.41 2qxy h LYS 35 CO 0.44 0.00 0.06 0.54 -2.00 0.00 0.00 179.45 178.49 2qxy s ASN 36 N -4.97 0.37 0.20 7.07 2.20 -1.26 -3.30 114.94 115.25 2qxy s ASN 36 Ca 0.05 -1.25 -0.11 0.00 -0.94 0.00 0.00 52.86 50.61 2qxy s ASN 36 Cb 0.09 0.76 0.19 0.00 -2.00 0.00 0.00 41.25 40.29 2qxy s ASN 36 CO 0.52 -1.49 1.81 -0.33 -2.94 0.00 0.00 177.10 174.67 2qxy h GLU 37 N 2.06 0.65 -0.12 3.55 5.08 -1.98 -1.20 114.58 122.62 2qxy h GLU 37 Ca -0.30 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.05 2qxy h GLU 37 Cb 1.25 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2qxy h GLU 37 CO 0.39 0.43 -0.04 1.96 -1.00 0.00 0.00 179.01 180.74 2qxy h GLN 38 N 0.67 -0.02 -0.63 2.33 7.50 -2.00 -1.54 115.11 121.43 2qxy h GLN 38 Ca 0.27 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.37 2qxy h GLN 38 Cb 0.12 0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.63 2qxy h GLN 38 CO -0.15 -0.02 0.20 0.93 -1.50 0.00 0.00 178.83 178.30 2qxy h GLU 39 N -0.02 0.95 -0.46 1.46 5.08 -1.91 -2.07 114.58 117.60 2qxy h GLU 39 Ca 0.06 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2qxy h GLU 39 Cb 0.12 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2qxy h GLU 39 CO -0.13 0.82 0.29 0.00 -1.00 0.00 0.00 179.01 178.98 2qxy h ALA 40 N 1.29 0.59 0.00 3.43 0.00 -0.66 -2.32 119.26 121.59 2qxy h ALA 40 Ca 0.21 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2qxy h ALA 40 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2qxy h ALA 40 CO -0.01 -0.00 -0.49 0.74 0.00 0.00 0.00 179.25 179.49 2qxy h PHE 41 N 0.59 0.00 -0.54 0.00 0.04 -1.10 -1.11 116.94 114.81 2qxy h PHE 41 Ca 0.18 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.89 2qxy h PHE 41 Cb -0.03 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 2qxy h PHE 41 CO -0.06 0.49 0.10 1.79 -0.60 0.00 0.00 178.31 180.03 2qxy h THR 42 N 0.00 1.23 -0.12 -1.55 1.35 -0.96 -1.05 112.91 111.81 2qxy h THR 42 Ca -0.00 -0.87 -0.07 0.00 -0.55 0.00 0.00 66.41 64.91 2qxy h THR 42 Cb 1.05 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2qxy h THR 42 CO 0.06 0.32 -0.19 -0.26 -0.25 0.00 0.00 175.52 175.20 2qxy h PHE 43 N 0.81 0.43 0.00 4.73 0.04 -1.14 -3.17 116.94 118.64 2qxy h PHE 43 Ca 0.17 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 2qxy h PHE 43 Cb 0.34 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 2qxy h PHE 43 CO 0.02 0.80 -0.02 -0.07 -0.60 0.00 0.00 178.31 178.43 2qxy h LEU 44 N -0.06 0.00 -0.01 1.54 3.38 -0.94 0.10 115.31 119.31 2qxy h LEU 44 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qxy h LEU 44 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2qxy h LEU 44 CO 0.04 0.02 -0.06 0.54 0.09 0.00 0.00 178.44 179.08 2qxy n ARG 45 N -4.36 0.12 -0.03 1.13 1.74 -0.42 -4.17 116.66 110.67 2qxy n ARG 45 Ca -0.03 -0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.00 2qxy n ARG 45 Cb 0.11 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 2qxy n ARG 45 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qxy n ARG 46 N -1.43 2.03 -3.99 5.56 1.74 -0.12 -5.06 116.66 115.40 2qxy n ARG 46 Ca 0.09 0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 57.07 2qxy n ARG 46 Cb 0.32 -1.14 -0.12 0.00 -1.02 0.00 0.00 32.46 30.50 2qxy n ARG 46 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2qxy s GLU 47 N -2.13 0.29 0.20 5.56 -1.05 0.17 -5.11 118.70 116.63 2qxy s GLU 47 Ca -0.05 -0.48 -0.30 0.00 -0.15 0.00 0.00 54.97 53.99 2qxy s GLU 47 Cb 0.02 -0.03 -0.09 0.00 -0.44 0.00 0.00 34.13 33.60 2qxy s GLU 47 CO 0.20 -0.01 1.32 0.15 0.95 0.00 0.00 175.26 177.87 2qxy s LYS 48 N -1.07 4.38 -0.13 -4.83 -0.14 -1.26 -4.40 119.74 112.28 2qxy s LYS 48 Ca -0.10 2.07 0.02 0.00 -1.36 0.00 0.00 55.97 56.60 2qxy s LYS 48 Cb -0.07 -3.19 -0.00 0.00 -1.68 0.00 0.00 37.83 32.88 2qxy s LYS 48 CO -0.00 -0.27 -0.19 0.42 -0.76 0.00 0.00 175.35 174.54 2qxy s ILE 49 N 0.15 2.42 0.07 2.17 -1.09 -1.26 -4.82 121.20 118.85 2qxy s ILE 49 Ca 0.57 -0.87 -0.13 0.00 -2.23 0.00 0.00 60.65 57.99 2qxy s ILE 49 Cb -0.37 -1.98 -0.25 0.00 -1.58 0.00 0.00 42.46 38.28 2qxy s ILE 49 CO 0.38 0.54 1.17 0.44 -1.23 0.00 0.00 174.94 176.24 2qxy h ASP 50 N 6.99 0.84 -3.64 3.58 3.32 -1.72 -3.40 116.42 122.39 2qxy h ASP 50 Ca -0.27 -0.72 -0.17 0.00 0.02 0.00 0.00 57.03 55.90 2qxy h ASP 50 Cb 1.21 -0.26 -0.27 0.00 0.22 0.00 0.00 39.33 40.23 2qxy h ASP 50 CO 0.53 1.52 -0.42 -0.22 -1.72 0.00 0.00 179.24 178.94 2qxy s LEU 51 N -7.94 0.71 -0.07 1.55 2.96 -1.02 -1.82 118.68 113.06 2qxy s LEU 51 Ca -0.09 0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.43 2qxy s LEU 51 Cb 0.07 0.90 -0.00 0.00 0.50 0.00 0.00 46.19 47.66 2qxy s LEU 51 CO 0.92 -0.12 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.92 2qxy s VAL 52 N 0.59 1.79 -0.22 1.68 1.01 -0.02 -4.21 120.40 121.02 2qxy s VAL 52 Ca -0.04 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 2qxy s VAL 52 Cb -0.05 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2qxy s VAL 52 CO -0.03 0.50 0.14 -0.36 0.00 0.00 0.00 175.10 175.35 2qxy s PHE 53 N 0.12 3.33 -0.13 5.22 0.08 -1.26 -1.29 117.98 124.05 2qxy s PHE 53 Ca -0.09 0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.20 2qxy s PHE 53 Cb -0.15 -2.21 0.00 0.00 -0.57 0.00 0.00 43.02 40.09 2qxy s PHE 53 CO 0.05 0.13 -0.21 0.08 -0.10 0.00 0.00 175.22 175.17 2qxy s VAL 54 N 0.78 2.25 -0.15 -0.44 1.01 -0.38 -0.67 120.40 122.80 2qxy s VAL 54 Ca 0.07 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 2qxy s VAL 54 Cb -0.13 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2qxy s VAL 54 CO 0.02 0.54 1.09 -0.62 0.00 0.00 0.00 175.10 176.13 2qxy s ASP 55 N 0.61 7.12 -0.13 3.32 2.15 -1.07 -1.61 116.67 127.06 2qxy s ASP 55 Ca -0.11 1.55 0.03 0.00 0.43 0.00 0.00 52.55 54.46 2qxy s ASP 55 Cb -0.16 -2.55 0.28 0.00 -0.30 0.00 0.00 42.92 40.19 2qxy s ASP 55 CO 0.03 -0.59 1.16 0.55 -0.17 0.00 0.00 175.17 176.15 2qxy n VAL 56 N 4.94 1.44 -0.12 1.11 3.14 -1.07 -4.56 118.33 123.21 2qxy n VAL 56 Ca 0.11 -0.62 -0.06 0.00 -2.96 0.00 0.00 64.34 60.81 2qxy n VAL 56 Cb 0.47 -0.61 0.03 0.00 -1.06 0.00 0.00 33.84 32.66 2qxy n VAL 56 CO 0.00 0.00 0.00 2.19 -6.46 0.00 0.00 176.83 172.56 2qxy h PHE 57 N 0.93 0.28 0.00 1.45 -0.00 -1.91 -2.77 116.94 114.92 2qxy h PHE 57 Ca 0.12 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.11 2qxy h PHE 57 Cb 1.39 -0.07 0.00 0.00 -0.00 0.00 0.00 35.95 37.27 2qxy h PHE 57 CO 0.51 0.12 0.00 0.39 -0.00 0.00 0.00 178.31 179.33 2qxy n GLU 58 N -4.99 0.64 0.00 6.09 1.02 -1.26 -4.95 120.64 117.19 2qxy n GLU 58 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2qxy n GLU 58 Cb 0.13 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2qxy n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qxy n GLY 59 N 0.16 3.65 0.31 0.62 0.00 -1.05 -2.62 105.19 106.26 2qxy n GLY 59 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2qxy n GLY 59 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qxy h GLU 60 N 0.00 0.00 -0.50 1.61 4.57 -1.92 -0.21 114.58 118.13 2qxy h GLU 60 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 2qxy h GLU 60 Cb 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2qxy h GLU 60 CO 0.00 0.00 -0.06 1.49 -1.18 0.00 0.00 179.01 179.26 2qxy h GLU 61 N 0.00 0.89 -0.62 1.92 4.57 -1.91 0.88 114.58 120.31 2qxy h GLU 61 Ca 0.07 -0.28 -0.10 0.00 -1.18 0.00 0.00 59.36 57.87 2qxy h GLU 61 Cb 0.30 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 2qxy h GLU 61 CO -0.00 0.92 0.01 0.77 -1.18 0.00 0.00 179.01 179.53 2qxy h SER 62 N 0.81 1.06 -0.50 1.04 0.02 -1.21 -0.37 113.55 114.41 2qxy h SER 62 Ca 0.14 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 2qxy h SER 62 Cb 0.56 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2qxy h SER 62 CO 0.03 1.10 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.70 2qxy h LEU 63 N 0.99 0.95 -0.85 5.07 3.38 -1.12 -1.38 115.31 122.35 2qxy h LEU 63 Ca 0.18 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2qxy h LEU 63 Cb 0.55 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2qxy h LEU 63 CO 0.03 1.04 0.51 -1.13 0.09 0.00 0.00 178.44 178.98 2qxy h ASN 64 N 0.87 1.03 -0.29 -0.43 -0.73 -0.48 -1.48 115.58 114.07 2qxy h ASN 64 Ca 0.15 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 2qxy h ASN 64 Cb 0.60 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 2qxy h ASN 64 CO 0.04 0.80 0.07 0.25 -0.37 0.00 0.00 177.43 178.21 2qxy h LEU 65 N 1.18 0.44 -0.54 0.34 5.85 -0.63 -1.17 115.31 120.78 2qxy h LEU 65 Ca 0.31 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2qxy h LEU 65 Cb -0.04 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2qxy h LEU 65 CO -0.06 0.56 0.28 0.40 -0.34 0.00 0.00 178.44 179.29 2qxy h ILE 66 N 0.30 0.96 -0.57 4.05 2.04 -0.89 -0.29 117.51 123.11 2qxy h ILE 66 Ca 0.09 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 2qxy h ILE 66 Cb 0.30 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2qxy h ILE 66 CO 0.00 0.10 0.02 0.03 0.00 0.00 0.00 178.15 178.30 2qxy h ARG 67 N 0.54 0.97 -0.50 2.37 3.08 -1.12 -1.60 114.38 118.12 2qxy h ARG 67 Ca 0.24 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2qxy h ARG 67 Cb 0.14 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2qxy h ARG 67 CO -0.16 0.95 0.05 -0.09 -1.07 0.00 0.00 179.97 179.64 2qxy h ARG 68 N 0.90 0.85 -0.37 0.04 2.43 -0.68 -0.44 114.38 117.12 2qxy h ARG 68 Ca 0.17 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2qxy h ARG 68 Cb 0.50 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2qxy h ARG 68 CO 0.02 0.87 0.19 0.82 -1.51 0.00 0.00 179.97 180.36 2qxy h ILE 69 N 0.73 1.16 -0.65 1.20 2.04 -0.92 -0.88 117.51 120.19 2qxy h ILE 69 Ca 0.15 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2qxy h ILE 69 Cb 0.45 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2qxy h ILE 69 CO 0.02 0.16 0.21 0.03 0.00 0.00 0.00 178.15 178.57 2qxy h ARG 70 N 0.47 0.98 -0.01 2.37 2.47 -1.09 0.38 114.38 119.96 2qxy h ARG 70 Ca 0.13 -0.19 -0.20 0.00 -1.26 0.00 0.00 59.98 58.46 2qxy h ARG 70 Cb 0.09 -0.15 0.02 0.00 -1.65 0.00 0.00 29.97 28.27 2qxy h ARG 70 CO -0.02 0.84 -0.77 1.05 0.56 0.00 0.00 179.97 181.63 2qxy h GLU 71 N 0.95 0.53 0.00 0.04 4.11 -0.91 -2.79 114.58 116.51 2qxy h GLU 71 Ca 0.21 -0.56 -0.16 0.00 0.07 0.00 0.00 59.36 58.92 2qxy h GLU 71 Cb 0.27 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2qxy h GLU 71 CO -0.01 1.19 -0.77 0.93 0.07 0.00 0.00 179.01 180.43 2qxy h GLU 72 N 0.10 0.00 -2.04 1.06 5.08 -1.09 -3.38 114.58 114.31 2qxy h GLU 72 Ca -0.09 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.71 2qxy h GLU 72 Cb 1.46 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.31 2qxy h GLU 72 CO 0.15 0.77 -1.02 1.19 -1.00 0.00 0.00 179.01 179.09 2qxy n PHE 73 N -3.31 0.52 0.20 4.33 3.72 0.13 -4.98 117.46 118.07 2qxy n PHE 73 Ca 0.01 -3.71 0.18 0.00 -0.05 0.00 0.00 57.45 53.88 2qxy n PHE 73 Cb 0.84 -0.40 0.76 0.00 -0.94 0.00 0.00 39.48 39.74 2qxy n PHE 73 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2qxy h PRO 74 N 3.84 0.00 -0.01 -1.08 0.13 -1.64 0.12 132.00 133.35 2qxy h PRO 74 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2qxy h PRO 74 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2qxy h PRO 74 CO 0.54 0.00 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.01 2qxy n ASP 75 N -3.35 1.06 -4.68 1.44 8.00 -1.26 -4.80 116.55 112.95 2qxy n ASP 75 Ca 0.03 -1.22 -0.38 0.00 0.71 0.00 0.00 54.79 53.93 2qxy n ASP 75 Cb 0.53 0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.56 2qxy n ASP 75 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qxy s THR 76 N -2.12 5.22 0.23 -3.53 2.01 0.41 -4.87 115.64 112.98 2qxy s THR 76 Ca 0.37 0.66 -0.16 0.00 0.31 0.00 0.00 61.69 62.87 2qxy s THR 76 Cb 0.21 -3.70 -0.08 0.00 0.01 0.00 0.00 72.50 68.93 2qxy s THR 76 CO 0.38 0.28 0.66 -0.54 -0.69 0.00 0.00 174.62 174.72 2qxy s LYS 77 N 1.14 4.07 -0.03 4.92 1.02 -0.75 -4.80 119.74 125.30 2qxy s LYS 77 Ca 0.18 0.66 0.05 0.00 0.02 0.00 0.00 55.97 56.87 2qxy s LYS 77 Cb -0.14 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 2qxy s LYS 77 CO 0.07 0.35 -0.16 0.08 -0.92 0.00 0.00 175.35 174.77 2qxy s VAL 78 N -1.66 1.33 0.07 3.17 1.01 -1.26 -0.84 120.40 122.22 2qxy s VAL 78 Ca 0.45 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2qxy s VAL 78 Cb -0.14 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2qxy s VAL 78 CO 0.20 0.38 -0.12 0.00 0.00 0.00 0.00 175.10 175.56 2qxy s ALA 79 N -0.13 1.03 -0.01 5.51 0.00 -0.41 -0.18 121.76 127.56 2qxy s ALA 79 Ca 0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 2qxy s ALA 79 Cb -0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 2qxy s ALA 79 CO 0.01 0.09 0.17 0.08 0.00 0.00 0.00 175.76 176.10 2qxy s VAL 80 N -1.50 5.32 -0.11 0.00 1.01 -0.04 -1.25 120.40 123.83 2qxy s VAL 80 Ca -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2qxy s VAL 80 Cb -0.09 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.83 2qxy s VAL 80 CO 0.01 0.33 -0.18 -0.76 0.00 0.00 0.00 175.10 174.51 2qxy s LEU 81 N -1.89 1.85 0.03 3.92 1.43 -0.63 -0.24 118.68 123.15 2qxy s LEU 81 Ca 0.26 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.81 2qxy s LEU 81 Cb -0.13 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.91 2qxy s LEU 81 CO 0.18 0.05 0.17 -0.55 0.23 0.00 0.00 176.35 176.43 2qxy s SER 82 N 0.81 0.04 0.15 2.29 0.15 -0.86 -2.58 113.70 113.71 2qxy s SER 82 Ca -0.10 -0.32 0.25 0.00 0.70 0.00 0.00 55.95 56.49 2qxy s SER 82 Cb -0.16 0.26 0.63 0.00 -1.71 0.00 0.00 66.02 65.04 2qxy s SER 82 CO 0.01 -0.49 1.58 0.00 1.20 0.00 0.00 173.24 175.53 2qxy n ALA 83 N 0.94 2.61 -2.58 5.45 0.00 -1.26 -0.61 120.51 125.06 2qxy n ALA 83 Ca -0.20 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 52.88 2qxy n ALA 83 Cb 0.58 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.56 2qxy n ALA 83 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2qxy s TYR 84 N -3.12 1.36 -0.14 0.00 1.51 -1.26 -4.81 117.35 110.89 2qxy s TYR 84 Ca 0.09 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 55.80 2qxy s TYR 84 Cb 0.13 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 41.12 2qxy s TYR 84 CO 0.65 0.03 -0.04 0.14 -1.11 0.00 0.00 175.55 175.21 2qxy s VAL 85 N -0.67 3.86 -0.15 0.71 -7.23 -1.26 -4.99 120.40 110.67 2qxy s VAL 85 Ca 0.04 -0.38 -0.11 0.00 -1.81 0.00 0.00 61.98 59.73 2qxy s VAL 85 Cb -0.07 -2.68 0.05 0.00 0.56 0.00 0.00 36.38 34.24 2qxy s VAL 85 CO 0.01 0.51 0.37 -0.62 -0.31 0.00 0.00 175.10 175.06 2qxy s ASP 86 N 0.21 -0.42 0.17 4.85 2.15 -1.26 -5.06 116.67 117.31 2qxy s ASP 86 Ca -0.03 0.78 -0.18 0.00 0.43 0.00 0.00 52.55 53.56 2qxy s ASP 86 Cb -0.14 0.72 0.09 0.00 -0.30 0.00 0.00 42.92 43.29 2qxy s ASP 86 CO 0.03 -0.16 1.66 0.50 -0.17 0.00 0.00 175.17 177.03 2qxy h LYS 87 N 6.33 -0.03 -0.59 4.34 3.64 -1.99 -0.35 116.57 127.92 2qxy h LYS 87 Ca -0.32 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.97 2qxy h LYS 87 Cb 1.18 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2qxy h LYS 87 CO 0.29 -0.02 0.02 -0.44 -2.27 0.00 0.00 179.45 177.03 2qxy h ASP 88 N -0.03 0.99 -0.81 4.20 3.32 -1.99 -0.92 116.42 121.18 2qxy h ASP 88 Ca 0.19 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2qxy h ASP 88 Cb 0.32 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 2qxy h ASP 88 CO -0.42 1.03 0.43 -0.07 -1.72 0.00 0.00 179.24 178.49 2qxy h LEU 89 N 0.93 1.03 0.25 1.55 3.38 -1.83 -0.00 115.31 120.63 2qxy h LEU 89 Ca 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2qxy h LEU 89 Cb 0.52 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2qxy h LEU 89 CO 0.03 0.84 -0.12 0.40 0.09 0.00 0.00 178.44 179.68 2qxy h ILE 90 N 1.15 0.80 -0.12 1.22 2.04 -0.71 -1.28 117.51 120.61 2qxy h ILE 90 Ca 0.28 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.77 2qxy h ILE 90 Cb 0.06 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 2qxy h ILE 90 CO -0.04 0.09 -0.24 0.40 0.00 0.00 0.00 178.15 178.36 2qxy h ILE 91 N -0.56 0.42 -0.29 -0.67 2.04 -0.87 -1.43 117.51 116.15 2qxy h ILE 91 Ca -0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 2qxy h ILE 91 Cb 0.41 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2qxy h ILE 91 CO 0.06 0.00 0.01 0.78 0.00 0.00 0.00 178.15 179.00 2qxy h ASN 92 N -0.31 0.41 -0.11 1.72 2.35 -1.02 0.07 115.58 118.68 2qxy h ASN 92 Ca 0.10 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2qxy h ASN 92 Cb 0.46 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 2qxy h ASN 92 CO -0.30 0.47 0.02 0.28 -1.65 0.00 0.00 177.43 176.25 2qxy h SER 93 N 0.43 0.17 -0.68 5.81 0.02 -0.66 -1.17 113.55 117.48 2qxy h SER 93 Ca 0.10 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.72 2qxy h SER 93 Cb 0.27 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2qxy h SER 93 CO 0.01 0.37 0.13 0.58 -1.14 0.00 0.00 176.83 176.78 2qxy h VAL 94 N -0.04 1.26 -0.51 2.27 2.07 -1.02 -1.37 116.25 118.92 2qxy h VAL 94 Ca 0.03 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.54 2qxy h VAL 94 Cb 0.27 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2qxy h VAL 94 CO 0.00 0.38 0.34 0.11 0.02 0.00 0.00 177.57 178.42 2qxy h LYS 95 N 1.04 0.66 0.00 1.57 1.57 -0.85 -0.56 116.57 120.00 2qxy h LYS 95 Ca 0.21 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2qxy h LYS 95 Cb 0.42 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2qxy h LYS 95 CO 0.01 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 2qxy h ALA 96 N 1.69 1.00 0.00 3.86 0.00 -0.53 -3.46 119.26 121.82 2qxy h ALA 96 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qxy h ALA 96 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qxy h ALA 96 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 2qxy n GLY 97 N 0.38 0.25 3.77 0.00 0.00 -0.22 -3.93 105.19 105.45 2qxy n GLY 97 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2qxy n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxy s ALA 98 N -1.16 3.08 -1.72 4.61 0.00 -0.58 -4.53 121.76 121.47 2qxy s ALA 98 Ca 0.00 0.86 0.16 0.00 0.00 0.00 0.00 51.96 52.97 2qxy s ALA 98 Cb 0.00 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.85 2qxy s ALA 98 CO 0.00 -0.44 0.92 1.33 0.00 0.00 0.00 175.76 177.57 2qxy n VAL 99 N -0.11 0.00 -3.46 0.00 0.24 0.75 -4.30 118.33 111.45 2qxy n VAL 99 Ca 0.05 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.34 61.81 2qxy n VAL 99 Cb 0.48 1.26 -0.02 0.00 -1.47 0.00 0.00 33.84 34.09 2qxy n VAL 99 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qxy s ASP 100 N -1.53 -0.50 -0.11 -1.34 -1.08 -1.26 -5.03 116.67 105.81 2qxy s ASP 100 Ca 0.16 0.06 -0.03 0.00 -0.52 0.00 0.00 52.55 52.22 2qxy s ASP 100 Cb 0.13 0.51 0.05 0.00 -1.46 0.00 0.00 42.92 42.15 2qxy s ASP 100 CO 0.28 -0.81 0.07 -0.47 0.52 0.00 0.00 175.17 174.76 2qxy s TYR 101 N -3.28 0.16 -0.08 -5.34 5.04 -1.26 -0.86 117.35 111.72 2qxy s TYR 101 Ca 0.01 -0.05 0.04 0.00 -2.44 0.00 0.00 57.07 54.64 2qxy s TYR 101 Cb -0.01 -0.60 -0.01 0.00 0.35 0.00 0.00 41.96 41.69 2qxy s TYR 101 CO -0.10 -0.36 -0.23 0.42 -1.34 0.00 0.00 175.55 173.95 2qxy s ILE 102 N 2.14 2.23 0.19 3.14 1.01 0.67 -4.96 121.20 125.62 2qxy s ILE 102 Ca 0.03 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 2qxy s ILE 102 Cb -0.14 -1.84 -0.08 0.00 0.01 0.00 0.00 42.46 40.41 2qxy s ILE 102 CO -0.06 0.56 0.98 -0.22 0.00 0.00 0.00 174.94 176.20 2qxy s LEU 103 N 0.09 4.56 0.01 2.97 2.96 -1.26 -2.02 118.68 125.99 2qxy s LEU 103 Ca -0.10 1.93 0.08 0.00 -0.22 0.00 0.00 54.13 55.82 2qxy s LEU 103 Cb -0.16 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 2qxy s LEU 103 CO 0.06 -0.00 -0.23 -1.59 -1.32 0.00 0.00 176.35 173.26 2qxy s LYS 104 N -0.64 1.76 0.53 1.98 -2.85 0.22 -3.56 119.74 117.18 2qxy s LYS 104 Ca 0.45 -0.92 -0.22 0.00 -1.00 0.00 0.00 55.97 54.27 2qxy s LYS 104 Cb -0.26 -1.79 -0.05 0.00 -2.06 0.00 0.00 37.83 33.66 2qxy s LYS 104 CO 0.32 0.48 1.39 -0.35 0.10 0.00 0.00 175.35 177.29 2qxy n PRO 105 N 2.20 1.82 -4.41 1.78 -0.04 -1.26 -4.26 135.00 130.83 2qxy n PRO 105 Ca -0.16 0.66 -0.21 0.00 -0.04 0.00 0.00 63.50 63.75 2qxy n PRO 105 Cb 0.52 -2.60 -0.10 0.00 -0.04 0.00 0.00 33.50 31.28 2qxy n PRO 105 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2qxy s PHE 106 N -1.27 1.99 0.34 0.54 -0.12 -1.23 -5.13 117.98 113.11 2qxy s PHE 106 Ca 0.70 -0.46 -0.26 0.00 -0.05 0.00 0.00 56.93 56.86 2qxy s PHE 106 Cb -0.42 -0.89 -0.10 0.00 -0.63 0.00 0.00 43.02 40.98 2qxy s PHE 106 CO 0.51 0.53 1.00 1.03 -0.05 0.00 0.00 175.22 178.23 2qxy s ARG 107 N -3.58 4.46 0.14 1.99 0.52 -1.26 -4.97 118.95 116.25 2qxy s ARG 107 Ca 0.26 1.45 -0.13 0.00 -0.52 0.00 0.00 55.73 56.79 2qxy s ARG 107 Cb -0.03 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.68 2qxy s ARG 107 CO 0.11 0.14 1.61 -0.07 0.02 0.00 0.00 175.30 177.10 2qxy h LEU 108 N 3.04 0.79 -0.74 2.53 3.38 -1.98 -2.19 115.31 120.14 2qxy h LEU 108 Ca -0.47 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.11 2qxy h LEU 108 Cb 1.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2qxy h LEU 108 CO 0.64 0.88 -0.12 -2.24 0.09 0.00 0.00 178.44 177.69 2qxy h ASP 109 N 0.67 0.83 -0.29 -0.43 3.04 -1.93 -2.36 116.42 115.94 2qxy h ASP 109 Ca 0.14 -0.26 -0.02 0.00 -3.24 0.00 0.00 57.03 53.65 2qxy h ASP 109 Cb 0.46 -0.22 -0.01 0.00 -1.04 0.00 0.00 39.33 38.51 2qxy h ASP 109 CO 0.02 0.96 0.11 0.22 -2.04 0.00 0.00 179.24 178.51 2qxy h TYR 110 N 0.75 0.46 -0.27 4.15 3.20 -1.93 -2.21 116.97 121.12 2qxy h TYR 110 Ca 0.12 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.96 2qxy h TYR 110 Cb 0.62 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2qxy h TYR 110 CO 0.03 0.47 0.16 1.25 -1.64 0.00 0.00 178.16 178.43 2qxy h LEU 111 N 0.32 0.27 -0.44 2.82 5.85 -1.27 -1.73 115.31 121.13 2qxy h LEU 111 Ca 0.10 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.88 2qxy h LEU 111 Cb 0.21 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2qxy h LEU 111 CO -0.01 0.20 0.13 0.25 -0.34 0.00 0.00 178.44 178.67 2qxy h LEU 112 N 0.33 0.11 -0.74 2.25 5.85 -1.31 0.74 115.31 122.55 2qxy h LEU 112 Ca 0.11 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2qxy h LEU 112 Cb -0.01 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2qxy h LEU 112 CO -0.04 0.10 0.22 1.05 -0.34 0.00 0.00 178.44 179.42 2qxy h GLU 113 N 0.29 1.16 -0.42 1.25 -0.00 -1.13 -0.64 114.58 115.09 2qxy h GLU 113 Ca 0.21 -0.26 -0.05 0.00 -0.00 0.00 0.00 59.36 59.26 2qxy h GLU 113 Cb 0.22 -0.16 -0.02 0.00 -0.00 0.00 0.00 28.75 28.79 2qxy h GLU 113 CO -0.23 1.00 0.06 0.00 -0.00 0.00 0.00 179.01 179.84 2qxy h ARG 114 N 1.11 0.69 -0.33 1.06 2.47 -0.83 -2.00 114.38 116.55 2qxy h ARG 114 Ca 0.24 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2qxy h ARG 114 Cb 0.33 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 2qxy h ARG 114 CO -0.00 0.74 0.21 0.28 0.56 0.00 0.00 179.97 181.75 2qxy h VAL 115 N 0.54 1.10 -0.93 2.04 2.07 -0.60 -0.42 116.25 120.04 2qxy h VAL 115 Ca 0.13 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.52 2qxy h VAL 115 Cb 0.38 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 2qxy h VAL 115 CO 0.01 0.09 0.59 0.11 0.02 0.00 0.00 177.57 178.39 2qxy h LYS 116 N 0.44 1.02 -0.55 1.57 1.57 -0.98 0.39 116.57 120.02 2qxy h LYS 116 Ca 0.12 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2qxy h LYS 116 Cb -0.03 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 2qxy h LYS 116 CO -0.02 0.68 0.10 -0.22 -0.57 0.00 0.00 179.45 179.41 2qxy h LYS 117 N 1.05 0.86 -0.25 3.15 3.64 -0.76 -1.34 116.57 122.92 2qxy h LYS 117 Ca 0.41 -0.19 -0.17 0.00 -1.27 0.00 0.00 60.65 59.42 2qxy h LYS 117 Cb 0.21 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2qxy h LYS 117 CO -0.19 0.80 -0.53 0.82 -2.27 0.00 0.00 179.45 178.08 2qxy h ILE 118 N 0.82 1.29 -0.52 2.00 2.04 0.09 -3.14 117.51 120.09 2qxy h ILE 118 Ca 0.17 -1.72 -0.09 0.00 1.00 0.00 0.00 64.86 64.23 2qxy h ILE 118 Cb 0.35 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2qxy h ILE 118 CO 0.00 0.55 -0.01 0.40 0.00 0.00 0.00 178.15 179.10 2qxy h ILE 119 N 0.55 1.26 0.49 -0.67 1.08 -0.76 -3.26 117.51 116.19 2qxy h ILE 119 Ca 0.01 -1.11 -0.02 0.00 -0.39 0.00 0.00 64.86 63.34 2qxy h ILE 119 Cb 1.14 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 35.83 2qxy h ILE 119 CO 0.12 0.39 -0.35 0.77 -0.69 0.00 0.00 178.15 178.38 2qxy h SER 120 N 0.79 -0.93 0.00 1.72 4.64 -1.28 -3.51 113.55 114.98 2qxy h SER 120 Ca 0.15 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2qxy h SER 120 Cb 0.54 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2qxy h SER 120 CO 0.03 -0.51 0.00 -0.24 -0.87 0.00 0.00 176.83 175.23