#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqf n GLU 2 N 0.00 0.00 -1.72 1.64 2.13 -1.26 -4.95 120.64 116.48 2oqf n GLU 2 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2oqf n GLU 2 Cb 0.00 -1.36 0.05 0.00 0.27 0.00 0.00 31.44 30.40 2oqf n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2oqf s THR 3 N 0.59 3.13 0.30 6.31 -4.23 -1.26 -4.86 115.64 115.62 2oqf s THR 3 Ca 0.85 0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 61.89 2oqf s THR 3 Cb -1.19 -3.05 0.27 0.00 1.34 0.00 0.00 72.50 69.86 2oqf s THR 3 CO 0.56 -0.32 1.95 0.00 -0.54 0.00 0.00 174.62 176.27 2oqf h ALA 4 N 0.00 1.47 -0.68 3.99 0.00 -1.94 -0.52 119.26 121.58 2oqf h ALA 4 Ca -0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2oqf h ALA 4 Cb 1.25 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2oqf h ALA 4 CO 0.54 0.45 0.27 0.00 0.00 0.00 0.00 179.25 180.50 2oqf h ALA 5 N 1.50 0.89 -0.34 0.00 0.00 -1.89 -0.53 119.26 118.88 2oqf h ALA 5 Ca 0.34 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2oqf h ALA 5 Cb 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2oqf h ALA 5 CO -0.10 0.51 -0.26 0.00 0.00 0.00 0.00 179.25 179.40 2oqf h ALA 6 N 1.12 0.91 -0.28 0.00 0.00 -1.81 -1.77 119.26 117.42 2oqf h ALA 6 Ca 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2oqf h ALA 6 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2oqf h ALA 6 CO -0.02 0.62 0.12 -0.22 0.00 0.00 0.00 179.25 179.76 2oqf h LYS 7 N 0.60 0.41 -0.48 0.00 3.64 -0.81 0.35 116.57 120.29 2oqf h LYS 7 Ca 0.08 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2oqf h LYS 7 Cb 0.75 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 2oqf h LYS 7 CO 0.06 0.42 0.25 0.35 -2.27 0.00 0.00 179.45 178.26 2oqf h PHE 8 N 0.31 0.47 -0.30 1.91 3.04 -0.98 0.03 116.94 121.43 2oqf h PHE 8 Ca 0.10 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 2oqf h PHE 8 Cb 0.15 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 2oqf h PHE 8 CO -0.01 0.24 0.18 0.93 -2.02 0.00 0.00 178.31 177.63 2oqf h GLU 9 N 0.50 0.40 -0.29 1.11 5.08 -1.14 -0.62 114.58 119.62 2oqf h GLU 9 Ca 0.20 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2oqf h GLU 9 Cb 0.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2oqf h GLU 9 CO -0.13 0.30 0.18 -0.09 -1.00 0.00 0.00 179.01 178.27 2oqf h ARG 10 N 0.38 0.36 0.01 2.33 2.43 -0.51 -2.43 114.38 116.96 2oqf h ARG 10 Ca 0.11 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.06 2oqf h ARG 10 Cb 0.00 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2oqf h ARG 10 CO -0.02 0.24 -0.89 1.96 -1.51 0.00 0.00 179.97 179.75 2oqf h GLN 11 N 0.38 0.12 0.00 0.20 4.20 -0.84 -3.41 115.11 115.76 2oqf h GLN 11 Ca 0.11 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2oqf h GLN 11 Cb -0.03 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2oqf h GLN 11 CO -0.04 0.93 -0.02 0.72 -0.67 0.00 0.00 178.83 179.75 2oqf n HIS 12 N -3.59 0.00 -3.41 2.96 8.25 -0.25 -4.74 115.22 114.44 2oqf n HIS 12 Ca -0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 2oqf n HIS 12 Cb 0.83 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.84 2oqf n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2oqf s MET 13 N -0.48 3.73 -0.51 -0.41 -1.94 -0.91 0.22 119.30 119.00 2oqf s MET 13 Ca 0.00 -0.26 0.05 0.00 -1.71 0.00 0.00 55.69 53.77 2oqf s MET 13 Cb 0.00 -3.75 0.20 0.00 2.01 0.00 0.00 34.83 33.29 2oqf s MET 13 CO 0.00 -0.43 0.48 -3.47 -0.01 0.00 0.00 175.02 171.59 2oqf n ASP 14 N 5.36 1.11 -0.08 3.03 2.03 -0.73 -4.86 116.55 122.42 2oqf n ASP 14 Ca -0.09 -2.80 -0.12 0.00 0.52 0.00 0.00 54.79 52.30 2oqf n ASP 14 Cb 0.50 -0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 40.21 2oqf n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2oqf h SER 15 N 4.99 0.43 0.15 1.67 0.02 -1.73 -3.32 113.55 115.76 2oqf h SER 15 Ca 0.19 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2oqf h SER 15 Cb 0.83 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2oqf h SER 15 CO 0.54 0.68 0.00 -1.54 -1.14 0.00 0.00 176.83 175.37 2oqf n SER 16 N -4.60 0.00 -4.45 3.07 3.41 -1.26 -4.18 113.62 105.60 2oqf n SER 16 Ca -0.04 0.31 -0.33 0.00 -0.26 0.00 0.00 58.87 58.54 2oqf n SER 16 Cb 0.28 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 63.73 2oqf n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2oqf s THR 17 N -2.73 3.52 0.34 6.66 -4.23 -1.25 -5.02 115.64 112.93 2oqf s THR 17 Ca 0.05 -0.50 0.14 0.00 -1.18 0.00 0.00 61.69 60.20 2oqf s THR 17 Cb 0.04 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.47 2oqf s THR 17 CO 0.10 0.52 1.81 0.77 -0.54 0.00 0.00 174.62 177.28 2oqf h SER 18 N 6.56 0.00 -3.38 3.99 4.64 -1.88 -3.44 113.55 120.03 2oqf h SER 18 Ca -0.30 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.06 2oqf h SER 18 Cb 1.20 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.04 2oqf h SER 18 CO 0.59 0.38 0.39 0.00 -0.87 0.00 0.00 176.83 177.32 2oqf s ALA 19 N -4.07 -1.93 0.13 5.18 0.00 -1.26 -4.85 121.76 114.96 2oqf s ALA 19 Ca -0.02 1.90 -0.35 0.00 0.00 0.00 0.00 51.96 53.48 2oqf s ALA 19 Cb 0.14 -1.37 -0.15 0.00 0.00 0.00 0.00 23.12 21.74 2oqf s ALA 19 CO 0.72 -0.26 1.41 0.00 0.00 0.00 0.00 175.76 177.63 2oqf n ALA 20 N 2.27 0.01 -0.09 0.00 0.00 -1.26 -4.88 120.51 116.56 2oqf n ALA 20 Ca -0.13 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2oqf n ALA 20 Cb 0.56 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2oqf n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2oqf n SER 21 N 2.77 1.60 -4.04 0.00 7.64 -1.26 -4.85 113.62 115.49 2oqf n SER 21 Ca 0.17 -1.69 -0.08 0.00 1.01 0.00 0.00 58.87 58.29 2oqf n SER 21 Cb 0.24 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.34 2oqf n SER 21 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2oqf s SER 22 N -0.69 0.38 0.30 6.43 0.15 -1.26 -5.05 113.70 113.96 2oqf s SER 22 Ca 0.00 -0.93 0.15 0.00 0.70 0.00 0.00 55.95 55.87 2oqf s SER 22 Cb 0.00 0.24 0.37 0.00 -1.71 0.00 0.00 66.02 64.93 2oqf s SER 22 CO 0.00 -0.64 1.59 0.77 1.20 0.00 0.00 173.24 176.16 2oqf h SER 23 N 3.03 0.00 -0.35 5.45 4.64 -1.97 -3.22 113.55 121.13 2oqf h SER 23 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2oqf h SER 23 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2oqf h SER 23 CO 0.63 0.53 0.00 0.59 -0.87 0.00 0.00 176.83 177.71 2oqf n ASN 24 N -3.49 2.05 -0.08 4.97 3.02 -1.26 -4.33 115.26 116.15 2oqf n ASN 24 Ca 0.00 -1.94 -0.09 0.00 -0.03 0.00 0.00 54.58 52.52 2oqf n ASN 24 Cb 0.63 -0.23 -0.01 0.00 -0.61 0.00 0.00 39.78 39.56 2oqf n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2oqf h TYR 25 N 2.34 0.30 -0.46 3.10 5.03 -1.96 -1.73 116.97 123.59 2oqf h TYR 25 Ca 0.00 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 2oqf h TYR 25 Cb 0.53 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.70 2oqf h TYR 25 CO 0.23 0.18 0.19 0.00 -1.32 0.00 0.00 178.16 177.44 2oqf h ASN 27 N 0.59 -0.10 0.21 0.00 2.35 -1.79 -0.43 115.58 116.42 2oqf h ASN 27 Ca 0.15 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 2oqf h ASN 27 Cb 0.18 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2oqf h ASN 27 CO -0.01 -0.03 -0.42 -0.61 -1.65 0.00 0.00 177.43 174.70 2oqf h GLN 28 N 0.01 0.27 0.10 0.81 4.15 -1.19 -2.83 115.11 116.43 2oqf h GLN 28 Ca 0.06 -0.13 -0.32 0.00 0.77 0.00 0.00 58.65 59.03 2oqf h GLN 28 Cb 0.08 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2oqf h GLN 28 CO -0.12 0.65 -1.66 0.52 -1.93 0.00 0.00 178.83 176.29 2oqf h MET 29 N 0.23 0.22 -0.27 1.69 2.86 -0.59 -2.66 114.93 116.40 2oqf h MET 29 Ca 0.02 -0.37 -0.09 0.00 -2.06 0.00 0.00 59.70 57.20 2oqf h MET 29 Cb 0.84 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2oqf h MET 29 CO 0.07 1.04 -0.22 0.52 1.06 0.00 0.00 176.91 179.38 2oqf h MET 30 N 0.06 0.50 0.53 1.72 2.86 -1.15 -2.10 114.93 117.35 2oqf h MET 30 Ca -0.29 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.15 2oqf h MET 30 Cb 2.02 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 33.65 2oqf h MET 30 CO 0.13 0.69 -0.25 -0.22 1.06 0.00 0.00 176.91 178.32 2oqf h LYS 31 N 0.44 -0.69 0.00 1.72 3.64 -1.58 -0.41 116.57 119.70 2oqf h LYS 31 Ca 0.07 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2oqf h LYS 31 Cb 0.63 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2oqf h LYS 31 CO 0.05 -0.38 0.00 0.66 -2.27 0.00 0.00 179.45 177.50 2oqf h SER 32 N -1.03 0.00 -0.40 4.20 4.64 -1.45 -1.41 113.55 118.09 2oqf h SER 32 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2oqf h SER 32 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2oqf h SER 32 CO 0.12 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 2oqf n ARG 33 N -2.33 3.53 -3.76 4.77 5.12 -0.79 -4.96 116.66 118.25 2oqf n ARG 33 Ca 0.03 -2.12 -0.24 0.00 -1.93 0.00 0.00 57.85 53.59 2oqf n ARG 33 Cb 0.32 -1.97 0.03 0.00 -1.16 0.00 0.00 32.46 29.69 2oqf n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2oqf n ASN 34 N 0.48 -2.58 -0.53 0.55 3.02 -0.53 -4.84 115.26 110.83 2oqf n ASN 34 Ca 0.19 -0.79 0.05 0.00 -0.03 0.00 0.00 54.58 54.00 2oqf n ASN 34 Cb 0.86 -4.08 0.10 0.00 -0.61 0.00 0.00 39.78 36.05 2oqf n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2oqf n LEU 35 N -4.44 2.42 -0.88 3.41 4.77 -0.16 -4.42 117.00 117.71 2oqf n LEU 35 Ca -0.18 -1.53 0.03 0.00 -0.03 0.00 0.00 56.01 54.30 2oqf n LEU 35 Cb 0.62 -0.12 0.17 0.00 -2.33 0.00 0.00 43.42 41.76 2oqf n LEU 35 CO 0.70 0.55 0.30 0.35 -1.33 0.00 0.00 177.39 177.97 2oqf n THR 36 N 0.54 1.98 0.00 -5.08 -2.24 -1.22 -2.32 114.28 105.93 2oqf n THR 36 Ca 0.09 -3.09 0.00 0.00 -2.27 0.00 0.00 64.05 58.77 2oqf n THR 36 Cb 0.35 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 2oqf n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2oqf n LYS 37 N -0.89 0.00 0.18 -0.78 4.76 -1.26 -4.24 118.16 115.94 2oqf n LYS 37 Ca 0.20 0.16 0.08 0.00 -2.87 0.00 0.00 58.31 55.88 2oqf n LYS 37 Cb 0.77 -0.76 0.14 0.00 -1.84 0.00 0.00 35.03 33.34 2oqf n LYS 37 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2oqf h ASP 38 N 0.00 0.00 -4.81 4.39 3.32 -1.93 -3.48 116.42 113.91 2oqf h ASP 38 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2oqf h ASP 38 Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 2oqf h ASP 38 CO 0.00 0.25 0.01 -0.60 -1.72 0.00 0.00 179.24 177.18 2oqf s ARG 39 N -3.14 0.87 -0.36 3.56 3.52 -1.26 -5.09 118.95 117.06 2oqf s ARG 39 Ca 0.05 0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 2oqf s ARG 39 Cb 0.07 0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 2oqf s ARG 39 CO 0.70 -0.24 1.38 0.00 -0.81 0.00 0.00 175.30 176.33 2oqf s LYS 41 N 4.63 3.73 0.37 0.00 2.20 -0.98 -4.89 119.74 124.79 2oqf s LYS 41 Ca 0.60 1.68 0.08 0.00 -0.36 0.00 0.00 55.97 57.97 2oqf s LYS 41 Cb -0.16 -4.07 0.71 0.00 -1.51 0.00 0.00 37.83 32.80 2oqf s LYS 41 CO 0.29 -1.37 1.88 -1.35 -0.36 0.00 0.00 175.35 174.43 2oqf h PRO 42 N 11.11 0.30 -3.33 4.03 0.11 -1.93 -3.43 132.00 138.86 2oqf h PRO 42 Ca -0.34 -0.07 -0.20 0.00 0.11 0.00 0.00 66.00 65.49 2oqf h PRO 42 Cb 1.16 -0.04 -0.28 0.00 0.11 0.00 0.00 31.00 31.95 2oqf h PRO 42 CO 1.00 0.44 -0.55 0.08 -0.21 0.00 0.00 178.00 178.76 2oqf s VAL 43 N -4.70 -0.01 -0.27 3.15 1.01 -1.26 -0.51 120.40 117.80 2oqf s VAL 43 Ca -0.06 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 2oqf s VAL 43 Cb 0.15 -0.23 0.08 0.00 0.00 0.00 0.00 36.38 36.38 2oqf s VAL 43 CO 0.74 0.02 0.73 0.21 0.00 0.00 0.00 175.10 176.81 2oqf s ASN 44 N 0.41 -0.77 -0.11 3.32 2.47 -0.71 -5.01 114.94 114.54 2oqf s ASN 44 Ca -0.03 1.43 0.01 0.00 0.42 0.00 0.00 52.86 54.70 2oqf s ASN 44 Cb -0.04 1.42 -0.01 0.00 -1.45 0.00 0.00 41.25 41.16 2oqf s ASN 44 CO -0.02 -0.24 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.07 2oqf s THR 45 N 0.66 2.84 -0.18 -5.21 2.01 -1.26 0.23 115.64 114.73 2oqf s THR 45 Ca -0.02 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 2oqf s THR 45 Cb -0.05 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 2oqf s THR 45 CO -0.04 0.54 0.12 -0.36 -0.69 0.00 0.00 174.62 174.19 2oqf s PHE 46 N 0.14 3.43 -0.19 4.92 0.40 -0.26 -4.47 117.98 121.96 2oqf s PHE 46 Ca -0.08 0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 56.48 2oqf s PHE 46 Cb -0.15 -2.09 -0.05 0.00 0.51 0.00 0.00 43.02 41.24 2oqf s PHE 46 CO 0.05 0.39 0.18 0.08 0.70 0.00 0.00 175.22 176.62 2oqf s VAL 47 N -0.00 5.38 -0.90 -0.44 1.01 0.13 -0.50 120.40 125.07 2oqf s VAL 47 Ca 0.09 0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 2oqf s VAL 47 Cb -0.11 -3.52 0.34 0.00 0.00 0.00 0.00 36.38 33.08 2oqf s VAL 47 CO -0.00 0.42 1.75 1.41 0.00 0.00 0.00 175.10 178.68 2oqf n HIS 48 N 3.54 3.00 -4.44 5.22 8.25 0.12 -1.76 115.22 129.15 2oqf n HIS 48 Ca -0.15 -2.68 -0.22 0.00 -0.26 0.00 0.00 57.72 54.42 2oqf n HIS 48 Cb 0.52 -1.06 -0.10 0.00 1.12 0.00 0.00 29.99 30.47 2oqf n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2oqf s GLU 49 N -4.13 1.68 0.85 -0.41 0.41 -1.26 -4.61 118.70 111.22 2oqf s GLU 49 Ca 0.44 -1.96 -0.11 0.00 -0.41 0.00 0.00 54.97 52.94 2oqf s GLU 49 Cb 0.28 -0.68 0.10 0.00 -1.78 0.00 0.00 34.13 32.05 2oqf s GLU 49 CO -0.22 -0.29 1.10 -1.54 -0.49 0.00 0.00 175.26 173.83 2oqf s SER 50 N -3.49 3.74 0.18 -0.19 1.04 -1.26 -4.20 113.70 109.52 2oqf s SER 50 Ca 0.33 1.85 -0.11 0.00 0.48 0.00 0.00 55.95 58.51 2oqf s SER 50 Cb 0.07 -2.46 0.08 0.00 0.10 0.00 0.00 66.02 63.80 2oqf s SER 50 CO 0.15 -2.53 1.69 0.25 0.98 0.00 0.00 173.24 173.78 2oqf h LEU 51 N -1.47 0.94 -0.37 2.42 5.85 -1.99 -2.39 115.31 118.29 2oqf h LEU 51 Ca -0.45 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.05 2oqf h LEU 51 Cb 1.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2oqf h LEU 51 CO 0.49 0.93 0.22 0.00 -0.34 0.00 0.00 178.44 179.75 2oqf h ALA 52 N 1.04 0.47 -0.64 1.25 0.00 -1.98 0.15 119.26 119.55 2oqf h ALA 52 Ca 0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2oqf h ALA 52 Cb 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2oqf h ALA 52 CO 0.00 -0.11 0.21 -0.44 0.00 0.00 0.00 179.25 178.91 2oqf h ASP 53 N 0.46 0.92 -0.35 0.00 3.32 -1.91 -1.04 116.42 117.82 2oqf h ASP 53 Ca 0.15 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 2oqf h ASP 53 Cb -0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2oqf h ASP 53 CO -0.06 0.88 -0.18 0.58 -1.72 0.00 0.00 179.24 178.74 2oqf h VAL 54 N 0.92 1.29 -0.27 -1.35 2.07 -1.28 -3.17 116.25 114.46 2oqf h VAL 54 Ca 0.21 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 2oqf h VAL 54 Cb 0.27 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2oqf h VAL 54 CO -0.01 0.43 0.09 1.56 0.02 0.00 0.00 177.57 179.66 2oqf h GLN 55 N 0.52 0.38 0.00 1.57 4.20 -0.49 -1.47 115.11 119.82 2oqf h GLN 55 Ca 0.08 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2oqf h GLN 55 Cb 0.72 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2oqf h GLN 55 CO 0.05 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.55 2oqf n ALA 56 N -2.49 1.48 0.17 3.87 0.00 -0.41 -2.58 120.51 120.55 2oqf n ALA 56 Ca 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2oqf n ALA 56 Cb 0.14 -1.20 0.30 0.00 0.00 0.00 0.00 19.45 18.69 2oqf n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2oqf h VAL 57 N 0.00 1.29 0.00 0.00 2.07 -1.35 -2.79 116.25 115.48 2oqf h VAL 57 Ca 0.00 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.94 2oqf h VAL 57 Cb 0.19 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2oqf h VAL 57 CO 0.00 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.03 2oqf n SER 59 N -1.45 2.61 0.00 0.00 3.41 -1.05 -5.01 113.62 112.13 2oqf n SER 59 Ca 0.01 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 55.20 2oqf n SER 59 Cb 0.03 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2oqf n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oqf n GLN 60 N -1.08 2.15 -2.30 4.33 6.02 -0.33 -5.02 117.38 121.16 2oqf n GLN 60 Ca 0.22 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.78 2oqf n GLN 60 Cb 0.81 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.05 2oqf n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2oqf s LYS 61 N 4.72 3.72 -0.09 -1.09 2.47 -1.14 -4.85 119.74 123.48 2oqf s LYS 61 Ca 0.00 1.22 -0.29 0.00 -1.56 0.00 0.00 55.97 55.34 2oqf s LYS 61 Cb 0.00 -3.99 -0.05 0.00 -1.46 0.00 0.00 37.83 32.33 2oqf s LYS 61 CO 0.00 -1.38 1.67 1.21 0.16 0.00 0.00 175.35 177.02 2oqf s ASN 62 N 3.75 6.56 0.20 1.43 2.47 -1.26 -0.59 114.94 127.51 2oqf s ASN 62 Ca 0.63 2.11 0.04 0.00 0.42 0.00 0.00 52.86 56.06 2oqf s ASN 62 Cb -0.18 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 37.04 2oqf s ASN 62 CO 0.29 -1.03 -0.05 0.68 -3.72 0.00 0.00 177.10 173.26 2oqf s VAL 63 N 4.43 1.16 0.30 -5.21 -7.23 -0.41 -4.94 120.40 108.51 2oqf s VAL 63 Ca 0.74 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 2oqf s VAL 63 Cb -0.32 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.37 2oqf s VAL 63 CO 0.30 -0.50 1.21 0.00 -0.31 0.00 0.00 175.10 175.80 2oqf s ALA 64 N -3.33 3.46 0.74 1.32 0.00 -1.26 -3.18 121.76 119.50 2oqf s ALA 64 Ca 0.24 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 2oqf s ALA 64 Cb 0.04 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.79 2oqf s ALA 64 CO 0.06 -0.42 1.08 0.00 0.00 0.00 0.00 175.76 176.48 2oqf h LYS 66 N -0.86 0.56 0.00 0.00 1.57 -1.96 0.22 116.57 116.09 2oqf h LYS 66 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2oqf h LYS 66 Cb 1.24 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2oqf h LYS 66 CO 0.59 0.37 0.00 0.27 -0.57 0.00 0.00 179.45 180.11 2oqf n ASN 67 N -4.47 0.00 0.00 0.86 6.94 -1.26 -4.90 115.26 112.42 2oqf n ASN 67 Ca 0.06 -0.85 0.00 0.00 -0.02 0.00 0.00 54.58 53.77 2oqf n ASN 67 Cb 0.14 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 2oqf n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2oqf n GLY 68 N 0.35 3.07 3.76 4.83 0.00 0.77 -5.06 105.19 112.90 2oqf n GLY 68 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2oqf n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oqf s GLN 69 N -0.88 4.76 -0.50 1.61 -0.21 -1.26 -4.58 119.66 118.61 2oqf s GLN 69 Ca 0.00 1.54 -0.24 0.00 0.02 0.00 0.00 55.36 56.68 2oqf s GLN 69 Cb 0.00 -3.18 0.03 0.00 1.00 0.00 0.00 33.01 30.86 2oqf s GLN 69 CO 0.00 0.41 0.89 0.95 -2.12 0.00 0.00 175.29 175.42 2oqf s THR 70 N -1.24 4.49 0.13 -0.19 -4.23 -1.26 0.19 115.64 113.53 2oqf s THR 70 Ca 0.43 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 2oqf s THR 70 Cb -0.26 -4.45 0.00 0.00 1.34 0.00 0.00 72.50 69.13 2oqf s THR 70 CO 0.33 -0.92 0.00 0.00 -0.54 0.00 0.00 174.62 173.49 2oqf s TYR 73 N -4.61 -0.11 -0.20 0.00 1.51 -0.25 -1.29 117.35 112.41 2oqf s TYR 73 Ca 0.00 0.34 -0.09 0.00 -1.01 0.00 0.00 57.07 56.30 2oqf s TYR 73 Cb 0.00 -0.05 -0.05 0.00 -0.11 0.00 0.00 41.96 41.75 2oqf s TYR 73 CO 0.00 -0.10 0.12 -1.14 -1.11 0.00 0.00 175.55 173.31 2oqf s GLN 74 N 0.66 4.14 0.32 -0.62 0.74 0.25 -1.90 119.66 123.24 2oqf s GLN 74 Ca -0.05 -0.24 -0.29 0.00 0.05 0.00 0.00 55.36 54.82 2oqf s GLN 74 Cb -0.07 -3.38 -0.11 0.00 1.10 0.00 0.00 33.01 30.55 2oqf s GLN 74 CO -0.03 0.30 1.55 -1.54 -0.55 0.00 0.00 175.29 175.03 2oqf s SER 75 N 0.33 6.38 0.33 6.67 1.04 -0.20 -2.88 113.70 125.37 2oqf s SER 75 Ca 0.07 2.97 0.03 0.00 0.48 0.00 0.00 55.95 59.50 2oqf s SER 75 Cb -0.11 -2.64 0.56 0.00 0.10 0.00 0.00 66.02 63.93 2oqf s SER 75 CO -0.02 -0.89 1.86 1.88 0.98 0.00 0.00 173.24 177.06 2oqf h TYR 76 N 4.31 0.60 -2.42 5.02 0.05 -1.95 -3.44 116.97 119.14 2oqf h TYR 76 Ca -0.48 -0.06 -0.56 0.00 0.05 0.00 0.00 58.73 57.67 2oqf h TYR 76 Cb 1.23 -0.17 -0.09 0.00 1.01 0.00 0.00 36.73 38.70 2oqf h TYR 76 CO 0.57 0.57 -0.63 -1.54 -1.05 0.00 0.00 178.16 176.08 2oqf s SER 77 N -6.71 4.75 0.80 3.88 1.04 -1.26 -5.08 113.70 111.12 2oqf s SER 77 Ca -0.08 -0.51 -0.11 0.00 0.48 0.00 0.00 55.95 55.73 2oqf s SER 77 Cb 0.15 -0.98 0.07 0.00 0.10 0.00 0.00 66.02 65.37 2oqf s SER 77 CO 0.77 0.02 1.09 0.42 0.98 0.00 0.00 173.24 176.53 2oqf s THR 78 N -2.10 3.16 0.04 2.02 -4.23 -1.26 -4.52 115.64 108.74 2oqf s THR 78 Ca 0.30 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 61.20 2oqf s THR 78 Cb -0.08 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 2oqf s THR 78 CO 0.20 -0.49 -0.06 -0.04 -0.54 0.00 0.00 174.62 173.69 2oqf s MET 79 N -4.90 0.49 -0.15 3.99 -1.94 0.49 -4.87 119.30 112.41 2oqf s MET 79 Ca 0.62 -0.80 -0.29 0.00 -1.71 0.00 0.00 55.69 53.51 2oqf s MET 79 Cb -0.17 -0.13 -0.04 0.00 2.01 0.00 0.00 34.83 36.50 2oqf s MET 79 CO 0.56 0.00 1.68 0.45 -0.01 0.00 0.00 175.02 177.70 2oqf s SER 80 N -1.77 6.44 0.18 3.03 0.15 -1.26 -2.29 113.70 118.18 2oqf s SER 80 Ca -0.09 1.91 0.07 0.00 0.70 0.00 0.00 55.95 58.54 2oqf s SER 80 Cb -0.07 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2oqf s SER 80 CO -0.01 -1.17 -0.14 0.27 1.20 0.00 0.00 173.24 173.39 2oqf s ILE 81 N 4.92 1.59 -0.23 6.45 -4.36 -0.01 0.13 121.20 129.69 2oqf s ILE 81 Ca 0.74 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 59.03 2oqf s ILE 81 Cb -0.29 -1.94 0.06 0.00 1.25 0.00 0.00 42.46 41.54 2oqf s ILE 81 CO 0.30 -0.59 -0.06 -0.89 0.24 0.00 0.00 174.94 173.94 2oqf s THR 82 N -2.89 1.61 0.28 8.37 2.01 0.34 -1.84 115.64 123.52 2oqf s THR 82 Ca 0.20 -1.24 -0.28 0.00 0.31 0.00 0.00 61.69 60.67 2oqf s THR 82 Cb -0.01 -1.84 -0.09 0.00 0.01 0.00 0.00 72.50 70.57 2oqf s THR 82 CO 0.05 -0.06 0.96 0.00 -0.69 0.00 0.00 174.62 174.88 2oqf s ALA 83 N 1.36 3.29 -0.15 7.40 0.00 -0.84 -1.11 121.76 131.72 2oqf s ALA 83 Ca -0.06 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.54 2oqf s ALA 83 Cb -0.19 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.73 2oqf s ALA 83 CO -0.06 0.14 -0.21 0.00 0.00 0.00 0.00 175.76 175.63 2oqf s ARG 85 N 0.97 2.42 0.25 0.00 3.52 -1.04 -1.74 118.95 123.34 2oqf s ARG 85 Ca -0.03 -0.65 -0.31 0.00 -0.13 0.00 0.00 55.73 54.61 2oqf s ARG 85 Cb -0.15 -1.97 -0.12 0.00 -1.56 0.00 0.00 34.95 31.15 2oqf s ARG 85 CO -0.05 0.01 1.60 -1.91 -0.81 0.00 0.00 175.30 174.14 2oqf n GLU 86 N 3.98 2.58 -1.95 5.12 2.13 0.33 -0.48 120.64 132.34 2oqf n GLU 86 Ca -0.20 0.92 -0.29 0.00 0.66 0.00 0.00 57.16 58.26 2oqf n GLU 86 Cb 0.52 -2.70 0.12 0.00 0.27 0.00 0.00 31.44 29.64 2oqf n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2oqf s THR 87 N 0.40 2.03 0.35 6.31 -4.23 -0.95 -4.83 115.64 114.71 2oqf s THR 87 Ca 0.69 -0.04 0.29 0.00 -1.18 0.00 0.00 61.69 61.45 2oqf s THR 87 Cb -0.54 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 70.62 2oqf s THR 87 CO 0.43 0.00 2.04 1.23 -0.54 0.00 0.00 174.62 177.78 2oqf h GLY 88 N -1.19 0.00 -2.22 3.99 0.00 -1.94 -3.05 103.07 98.66 2oqf h GLY 88 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2oqf h GLY 88 CO 0.56 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.96 2oqf n SER 89 N -3.48 3.39 -4.73 0.19 3.41 -1.26 -4.96 113.62 106.17 2oqf n SER 89 Ca -0.01 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.20 2oqf n SER 89 Cb 0.27 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2oqf n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2oqf s SER 90 N -1.50 6.81 -0.04 4.04 0.15 -1.15 -4.93 113.70 117.07 2oqf s SER 90 Ca 0.37 2.44 -0.01 0.00 0.70 0.00 0.00 55.95 59.44 2oqf s SER 90 Cb 0.22 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.96 2oqf s SER 90 CO 0.31 -0.62 0.04 -0.75 1.20 0.00 0.00 173.24 173.42 2oqf s LYS 91 N 0.34 0.06 0.43 5.44 2.20 -1.24 -4.92 119.74 122.05 2oqf s LYS 91 Ca 0.61 0.29 -0.25 0.00 -0.36 0.00 0.00 55.97 56.26 2oqf s LYS 91 Cb -0.38 -0.55 -0.10 0.00 -1.51 0.00 0.00 37.83 35.29 2oqf s LYS 91 CO 0.36 -0.29 1.22 0.98 -0.36 0.00 0.00 175.35 177.25 2oqf n TYR 92 N 5.06 1.94 1.64 4.03 9.36 -1.26 -1.31 117.16 136.63 2oqf n TYR 92 Ca -0.08 0.51 0.15 0.00 3.32 0.00 0.00 57.90 61.79 2oqf n TYR 92 Cb 0.50 -2.34 0.66 0.00 -0.63 0.00 0.00 39.34 37.53 2oqf n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2oqf n PRO 93 N -0.00 1.38 -1.82 2.98 -0.04 -1.26 -4.95 135.00 131.29 2oqf n PRO 93 Ca 0.07 -0.61 -0.41 0.00 -0.04 0.00 0.00 63.50 62.51 2oqf n PRO 93 Cb 0.40 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2oqf n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2oqf n ASN 94 N -0.28 5.45 -4.76 3.54 5.03 -0.42 -4.98 115.26 118.84 2oqf n ASN 94 Ca 0.20 -2.88 -0.41 0.00 0.87 0.00 0.00 54.58 52.36 2oqf n ASN 94 Cb 0.27 -1.57 -0.02 0.00 -1.02 0.00 0.00 39.78 37.44 2oqf n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2oqf s ALA 96 N -0.47 1.67 0.05 0.00 0.00 -1.26 -4.94 121.76 116.81 2oqf s ALA 96 Ca 0.56 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.72 2oqf s ALA 96 Cb -0.42 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 2oqf s ALA 96 CO 0.49 0.39 -0.15 0.71 0.00 0.00 0.00 175.76 177.20 2oqf s TYR 97 N -0.40 1.33 0.12 0.00 2.02 -1.26 -2.24 117.35 116.92 2oqf s TYR 97 Ca 0.06 -0.39 -0.25 0.00 -0.37 0.00 0.00 57.07 56.12 2oqf s TYR 97 Cb -0.08 -0.77 -0.07 0.00 -0.40 0.00 0.00 41.96 40.63 2oqf s TYR 97 CO -0.00 0.06 0.76 0.21 -1.57 0.00 0.00 175.55 175.01 2oqf s LYS 98 N -1.39 4.52 -0.20 -0.62 2.20 0.36 -4.72 119.74 119.90 2oqf s LYS 98 Ca 0.02 1.10 -0.06 0.00 -0.36 0.00 0.00 55.97 56.67 2oqf s LYS 98 Cb -0.09 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 2oqf s LYS 98 CO 0.02 0.48 0.02 0.99 -0.36 0.00 0.00 175.35 176.50 2oqf s THR 99 N -0.77 4.22 -0.39 3.43 2.01 -1.26 -2.50 115.64 120.38 2oqf s THR 99 Ca 0.36 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.15 2oqf s THR 99 Cb -0.22 -2.91 0.12 0.00 0.01 0.00 0.00 72.50 69.50 2oqf s THR 99 CO 0.25 0.43 0.18 -0.89 -0.69 0.00 0.00 174.62 173.89 2oqf s THR 100 N 0.83 1.27 0.47 -0.82 2.01 -0.89 -4.98 115.64 113.53 2oqf s THR 100 Ca 0.02 -2.14 -0.22 0.00 0.31 0.00 0.00 61.69 59.66 2oqf s THR 100 Cb -0.14 -1.92 -0.08 0.00 0.01 0.00 0.00 72.50 70.37 2oqf s THR 100 CO 0.02 -0.80 1.09 -1.58 -0.69 0.00 0.00 174.62 172.66 2oqf s GLN 101 N 0.83 3.79 -0.19 4.92 2.00 -1.26 -2.00 119.66 127.75 2oqf s GLN 101 Ca 0.15 1.54 -0.35 0.00 -2.00 0.00 0.00 55.36 54.69 2oqf s GLN 101 Cb -0.22 -2.25 0.14 0.00 0.80 0.00 0.00 33.01 31.48 2oqf s GLN 101 CO -0.09 -0.47 1.21 0.00 -0.50 0.00 0.00 175.29 175.44 2oqf s ALA 102 N -1.77 -2.07 -0.33 1.58 0.00 -0.77 -4.97 121.76 113.44 2oqf s ALA 102 Ca 0.65 1.60 -0.02 0.00 0.00 0.00 0.00 51.96 54.19 2oqf s ALA 102 Cb -0.22 -0.14 0.06 0.00 0.00 0.00 0.00 23.12 22.82 2oqf s ALA 102 CO 0.26 -0.59 0.05 -0.80 0.00 0.00 0.00 175.76 174.69 2oqf s ASN 103 N -2.15 5.00 0.19 0.00 -0.87 -1.26 -0.83 114.94 115.02 2oqf s ASN 103 Ca 0.09 -1.45 0.02 0.00 -1.57 0.00 0.00 52.86 49.95 2oqf s ASN 103 Cb -0.01 -1.75 -0.05 0.00 -0.02 0.00 0.00 41.25 39.43 2oqf s ASN 103 CO -0.05 -0.33 0.02 -0.54 -2.57 0.00 0.00 177.10 173.63 2oqf s LYS 104 N 1.23 1.18 0.46 -0.60 3.01 -0.97 -4.74 119.74 119.31 2oqf s LYS 104 Ca -0.01 -1.59 -0.21 0.00 -1.01 0.00 0.00 55.97 53.15 2oqf s LYS 104 Cb -0.20 -0.29 -0.09 0.00 -1.01 0.00 0.00 37.83 36.24 2oqf s LYS 104 CO -0.02 -0.16 1.02 -1.01 0.51 0.00 0.00 175.35 175.70 2oqf s HIS 105 N -3.66 3.11 0.09 3.18 3.76 -1.26 -0.38 115.29 120.14 2oqf s HIS 105 Ca 0.27 1.60 0.05 0.00 -0.15 0.00 0.00 55.06 56.83 2oqf s HIS 105 Cb 0.06 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.67 2oqf s HIS 105 CO 0.06 -0.65 0.01 0.96 -0.85 0.00 0.00 174.74 174.27 2oqf s ILE 106 N -1.94 4.06 -0.16 0.60 -4.36 -1.26 -1.06 121.20 117.08 2oqf s ILE 106 Ca 0.64 -0.99 0.01 0.00 -0.26 0.00 0.00 60.65 60.05 2oqf s ILE 106 Cb -0.16 -2.94 0.01 0.00 1.25 0.00 0.00 42.46 40.61 2oqf s ILE 106 CO 0.20 0.11 -0.18 -0.63 0.24 0.00 0.00 174.94 174.67 2oqf s ILE 107 N -1.34 2.34 0.08 8.37 1.01 -0.07 -1.03 121.20 130.56 2oqf s ILE 107 Ca 0.26 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 60.10 2oqf s ILE 107 Cb -0.12 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 2oqf s ILE 107 CO 0.19 0.53 -0.17 0.68 0.00 0.00 0.00 174.94 176.17 2oqf s VAL 108 N 0.92 1.35 0.23 2.92 -7.23 -0.80 -1.24 120.40 116.55 2oqf s VAL 108 Ca -0.04 -1.39 -0.23 0.00 -1.81 0.00 0.00 61.98 58.51 2oqf s VAL 108 Cb -0.15 -1.26 -0.08 0.00 0.56 0.00 0.00 36.38 35.44 2oqf s VAL 108 CO -0.03 -0.15 0.78 0.00 -0.31 0.00 0.00 175.10 175.39 2oqf s ALA 109 N -1.22 3.38 0.13 1.32 0.00 -0.87 -1.09 121.76 123.42 2oqf s ALA 109 Ca 0.01 0.29 0.10 0.00 0.00 0.00 0.00 51.96 52.36 2oqf s ALA 109 Cb -0.10 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2oqf s ALA 109 CO 0.03 0.29 -0.23 0.00 0.00 0.00 0.00 175.76 175.84 2oqf s GLU 111 N -2.16 0.86 0.02 0.00 2.12 -0.77 -4.88 118.70 113.89 2oqf s GLU 111 Ca 0.12 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.63 2oqf s GLU 111 Cb -0.09 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.70 2oqf s GLU 111 CO 0.06 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 2oqf n GLY 112 N 1.31 -3.70 2.72 -1.50 0.00 -1.26 -2.67 105.19 100.10 2oqf n GLY 112 Ca -0.19 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.50 2oqf n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2oqf s ASN 113 N -0.95 3.55 0.58 1.61 3.04 -1.26 -2.55 114.94 118.96 2oqf s ASN 113 Ca 0.00 -1.27 -0.16 0.00 0.04 0.00 0.00 52.86 51.47 2oqf s ASN 113 Cb 0.00 -0.72 -0.04 0.00 -1.54 0.00 0.00 41.25 38.95 2oqf s ASN 113 CO 0.00 -0.37 1.05 -2.16 -3.04 0.00 0.00 177.10 172.58 2oqf s PRO 114 N 1.75 3.38 -0.63 0.43 0.04 -1.26 -5.10 135.00 133.62 2oqf s PRO 114 Ca 0.05 1.21 -0.27 0.00 0.04 0.00 0.00 61.00 62.03 2oqf s PRO 114 Cb -0.17 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.36 2oqf s PRO 114 CO -0.19 -0.76 1.17 -0.47 0.04 0.00 0.00 177.00 176.79 2oqf s TYR 115 N -2.42 2.54 0.07 0.56 5.04 -1.06 -4.89 117.35 117.20 2oqf s TYR 115 Ca 0.64 0.16 0.01 0.00 -2.44 0.00 0.00 57.07 55.44 2oqf s TYR 115 Cb -0.16 -4.48 -0.04 0.00 0.35 0.00 0.00 41.96 37.64 2oqf s TYR 115 CO 0.35 -1.71 -0.06 0.14 -1.34 0.00 0.00 175.55 172.94 2oqf s VAL 116 N 5.01 0.51 0.16 3.14 -7.23 -1.09 -4.87 120.40 116.02 2oqf s VAL 116 Ca 0.38 -1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 58.54 2oqf s VAL 116 Cb -0.09 -1.37 -0.11 0.00 0.56 0.00 0.00 36.38 35.38 2oqf s VAL 116 CO 0.21 -0.80 1.69 -2.16 -0.31 0.00 0.00 175.10 173.73 2oqf s PRO 117 N -3.32 4.16 0.00 4.82 0.04 -1.26 -1.85 135.00 137.59 2oqf s PRO 117 Ca 0.05 2.50 0.02 0.00 0.04 0.00 0.00 61.00 63.61 2oqf s PRO 117 Cb 0.02 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.30 2oqf s PRO 117 CO -0.05 -0.73 0.60 1.33 0.04 0.00 0.00 177.00 178.19 2oqf n VAL 118 N 4.26 0.06 -3.59 -0.36 0.24 -0.56 -4.49 118.33 113.88 2oqf n VAL 118 Ca 0.16 -0.53 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 2oqf n VAL 118 Cb 0.38 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.70 2oqf n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2oqf s HIS 119 N -0.24 -0.54 -0.30 6.34 5.65 -1.22 -4.63 115.29 120.35 2oqf s HIS 119 Ca 0.03 1.15 -0.10 0.00 0.25 0.00 0.00 55.06 56.38 2oqf s HIS 119 Cb 0.02 0.38 -0.02 0.00 -1.18 0.00 0.00 32.58 31.78 2oqf s HIS 119 CO 0.03 -0.37 0.16 0.12 -0.65 0.00 0.00 174.74 174.03 2oqf s PHE 120 N -0.43 3.18 -0.18 3.88 2.19 -1.26 -2.06 117.98 123.29 2oqf s PHE 120 Ca -0.02 -0.41 -0.17 0.00 0.33 0.00 0.00 56.93 56.66 2oqf s PHE 120 Cb -0.03 -2.36 -0.13 0.00 -1.31 0.00 0.00 43.02 39.19 2oqf s PHE 120 CO 0.01 -0.39 0.05 -3.47 1.83 0.00 0.00 175.22 173.25 2oqf n ASP 121 N 5.00 1.84 -3.66 6.13 2.03 -0.37 -4.97 116.55 122.56 2oqf n ASP 121 Ca -0.14 0.51 -0.04 0.00 0.52 0.00 0.00 54.79 55.64 2oqf n ASP 121 Cb 0.50 -0.93 -0.01 0.00 -0.72 0.00 0.00 41.12 39.96 2oqf n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2oqf s ALA 122 N -2.51 -1.81 -0.00 -1.67 0.00 -1.15 -5.01 121.76 109.61 2oqf s ALA 122 Ca -0.23 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2oqf s ALA 122 Cb 0.04 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 2oqf s ALA 122 CO 0.44 -0.92 0.05 -1.54 0.00 0.00 0.00 175.76 173.79 2oqf s SER 123 N -2.78 5.48 0.00 0.00 1.04 -1.26 -0.89 113.70 115.28 2oqf s SER 123 Ca 0.10 0.09 0.13 0.00 0.48 0.00 0.00 55.95 56.75 2oqf s SER 123 Cb -0.00 -1.52 0.11 0.00 0.10 0.00 0.00 66.02 64.70 2oqf s SER 123 CO -0.02 0.27 0.92 0.52 0.98 0.00 0.00 173.24 175.91