#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg n ILE 2 N 0.00 1.62 -3.68 3.17 -0.00 -1.26 -4.85 119.36 114.36 2qbg n ILE 2 Ca 0.00 -0.59 -0.26 0.00 -0.00 0.00 0.00 62.75 61.90 2qbg n ILE 2 Cb 0.00 -1.59 -0.17 0.00 -0.00 0.00 0.00 39.64 37.88 2qbg n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2qbg s ARG 3 N -2.53 0.35 0.48 6.28 3.03 -1.26 -5.13 118.95 120.16 2qbg s ARG 3 Ca -0.29 -0.18 -0.22 0.00 2.03 0.00 0.00 55.73 57.06 2qbg s ARG 3 Cb 0.08 -1.79 -0.09 0.00 -1.03 0.00 0.00 34.95 32.12 2qbg s ARG 3 CO 0.67 -0.60 0.98 0.39 -1.13 0.00 0.00 175.30 175.60 2qbg n GLU 4 N 5.17 1.20 0.31 3.89 -0.58 -1.26 -4.87 120.64 124.51 2qbg n GLU 4 Ca -0.08 0.44 0.19 0.00 -0.42 0.00 0.00 57.16 57.30 2qbg n GLU 4 Cb 0.48 -2.07 1.00 0.00 -0.57 0.00 0.00 31.44 30.28 2qbg n GLU 4 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2qbg h GLU 5 N 1.19 0.00 -0.64 3.49 4.11 -2.00 -2.42 114.58 118.31 2qbg h GLU 5 Ca -0.46 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.11 2qbg h GLU 5 Cb 1.35 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.49 2qbg h GLU 5 CO 0.55 0.02 0.06 0.00 0.07 0.00 0.00 179.01 179.71 2qbg h ARG 6 N 0.00 0.17 -2.49 1.06 2.47 -2.07 -2.08 114.38 111.44 2qbg h ARG 6 Ca -0.00 -0.01 -0.72 0.00 -1.26 0.00 0.00 59.98 57.99 2qbg h ARG 6 Cb 0.17 -0.04 -0.34 0.00 -1.65 0.00 0.00 29.97 28.11 2qbg h ARG 6 CO 0.00 0.11 0.25 -0.11 0.56 0.00 0.00 179.97 180.79 2qbg n LEU 7 N -5.23 5.62 -1.38 3.04 -0.00 -0.91 -4.65 117.00 113.50 2qbg n LEU 7 Ca 0.10 -5.39 0.04 0.00 -0.00 0.00 0.00 56.01 50.76 2qbg n LEU 7 Cb 0.38 -0.98 0.03 0.00 -0.00 0.00 0.00 43.42 42.84 2qbg n LEU 7 CO 0.12 1.97 0.09 0.18 -0.00 0.00 0.00 177.39 179.75 2qbg n LEU 8 N 0.67 0.98 -1.35 -1.96 4.77 -0.78 -4.79 117.00 114.54 2qbg n LEU 8 Ca 0.32 -1.98 0.03 0.00 -0.03 0.00 0.00 56.01 54.35 2qbg n LEU 8 Cb 0.35 -0.02 0.23 0.00 -2.33 0.00 0.00 43.42 41.64 2qbg n LEU 8 CO 0.54 0.51 0.64 2.29 -1.33 0.00 0.00 177.39 180.04 2qbg n LYS 9 N 0.39 3.16 -0.28 3.23 0.00 -1.26 -4.54 118.16 118.86 2qbg n LYS 9 Ca 0.06 -1.83 -0.00 0.00 -0.00 0.00 0.00 58.31 56.54 2qbg n LYS 9 Cb 1.09 -1.93 0.06 0.00 -0.00 0.00 0.00 35.03 34.25 2qbg n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qbg h VAL 10 N 2.19 0.13 -2.02 0.58 2.07 -1.94 -3.36 116.25 113.91 2qbg h VAL 10 Ca 0.03 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.99 2qbg h VAL 10 Cb 1.42 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2qbg h VAL 10 CO 0.32 0.00 1.48 -0.76 0.02 0.00 0.00 177.57 178.63 2qbg s LEU 11 N -10.94 3.43 0.07 2.57 2.01 -1.26 -3.00 118.68 111.57 2qbg s LEU 11 Ca -0.14 1.56 0.22 0.00 0.01 0.00 0.00 54.13 55.78 2qbg s LEU 11 Cb 0.20 -3.26 -0.18 0.00 0.01 0.00 0.00 46.19 42.96 2qbg s LEU 11 CO 0.73 -2.14 0.73 0.54 1.01 0.00 0.00 176.35 177.23 2qbg n ARG 12 N 8.78 0.63 -3.65 1.70 1.74 -0.27 -4.95 116.66 120.65 2qbg n ARG 12 Ca 0.30 -0.03 -0.02 0.00 -0.77 0.00 0.00 57.85 57.32 2qbg n ARG 12 Cb 0.48 -1.67 -0.07 0.00 -1.02 0.00 0.00 32.46 30.18 2qbg n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbg s ALA 13 N -3.40 -2.22 -0.79 7.54 0.00 -0.46 -4.97 121.76 117.46 2qbg s ALA 13 Ca -0.05 1.71 -0.26 0.00 0.00 0.00 0.00 51.96 53.36 2qbg s ALA 13 Cb 0.12 -1.76 0.04 0.00 0.00 0.00 0.00 23.12 21.52 2qbg s ALA 13 CO 0.85 -0.12 1.29 -1.25 0.00 0.00 0.00 175.76 176.54 2qbg s PRO 14 N -0.15 3.27 0.26 0.00 0.04 -1.26 0.89 135.00 138.04 2qbg s PRO 14 Ca 0.08 -0.47 -0.05 0.00 0.04 0.00 0.00 61.00 60.60 2qbg s PRO 14 Cb -0.04 -4.42 0.30 0.00 0.04 0.00 0.00 34.50 30.37 2qbg s PRO 14 CO -0.15 -2.14 1.93 1.25 0.04 0.00 0.00 177.00 177.93 2qbg h HIS 15 N 9.94 1.24 -0.67 0.56 2.76 -1.82 -3.46 115.15 123.71 2qbg h HIS 15 Ca -0.18 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 2qbg h HIS 15 Cb 1.04 -0.42 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2qbg h HIS 15 CO 1.15 0.76 0.00 0.28 -1.30 0.00 0.00 177.93 178.82 2qbg n VAL 16 N -4.40 0.00 -3.76 5.26 0.31 -1.12 -4.84 118.33 109.78 2qbg n VAL 16 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.32 2qbg n VAL 16 Cb 0.04 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.86 2qbg n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2qbg s SER 17 N 0.00 -0.34 0.20 4.52 0.01 -1.26 -4.90 113.70 111.93 2qbg s SER 17 Ca 0.00 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2qbg s SER 17 Cb 0.00 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.90 2qbg s SER 17 CO 0.00 -0.14 0.00 1.21 0.41 0.00 0.00 173.24 174.72 2qbg n GLU 18 N 2.80 -1.08 -0.24 12.44 4.07 -1.26 -3.68 120.64 133.70 2qbg n GLU 18 Ca -0.13 0.88 -0.03 0.00 -0.06 0.00 0.00 57.16 57.82 2qbg n GLU 18 Cb 0.58 -1.24 -0.04 0.00 -0.06 0.00 0.00 31.44 30.68 2qbg n GLU 18 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2qbg n LYS 19 N -2.70 0.48 0.00 5.31 4.81 -1.26 -3.05 118.16 121.75 2qbg n LYS 19 Ca -0.03 -0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.20 2qbg n LYS 19 Cb 0.21 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.69 2qbg n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbg n ALA 20 N 2.65 2.26 0.08 3.14 0.00 -1.26 -4.56 120.51 122.81 2qbg n ALA 20 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 2qbg n ALA 20 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.62 2qbg n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qbg h SER 21 N 0.00 -0.74 -0.18 0.00 4.64 -1.62 1.01 113.55 116.67 2qbg h SER 21 Ca 0.00 0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.27 2qbg h SER 21 Cb 0.00 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2qbg h SER 21 CO 0.00 -0.33 -0.46 0.71 -0.87 0.00 0.00 176.83 175.88 2qbg h THR 22 N -0.42 1.33 -0.03 2.95 1.35 -1.74 1.14 112.91 117.49 2qbg h THR 22 Ca 0.05 -1.70 0.01 0.00 -0.55 0.00 0.00 66.41 64.22 2qbg h THR 22 Cb 0.48 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2qbg h THR 22 CO -0.19 0.53 0.05 0.00 -0.25 0.00 0.00 175.52 175.65 2qbg h ALA 23 N 0.57 1.41 0.00 6.62 0.00 -1.57 1.65 119.26 127.94 2qbg h ALA 23 Ca -0.01 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2qbg h ALA 23 Cb 1.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2qbg h ALA 23 CO 0.10 -0.06 -2.05 -1.33 0.00 0.00 0.00 179.25 175.91 2qbg n MET 24 N -3.57 0.67 -0.03 0.00 2.81 0.35 -4.14 117.12 113.20 2qbg n MET 24 Ca -0.02 -0.08 -0.17 0.00 -1.81 0.00 0.00 57.70 55.63 2qbg n MET 24 Cb 0.13 -1.56 -0.07 0.00 -0.71 0.00 0.00 33.22 31.01 2qbg n MET 24 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2qbg h GLU 25 N 0.00 0.68 -0.07 0.03 4.81 0.50 0.90 114.58 121.42 2qbg h GLU 25 Ca -0.22 -0.54 0.02 0.00 -0.13 0.00 0.00 59.36 58.49 2qbg h GLU 25 Cb 1.52 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 2qbg h GLU 25 CO 0.02 1.16 0.17 0.87 -0.73 0.00 0.00 179.01 180.49 2qbg h LYS 26 N 0.37 0.00 0.07 1.92 1.79 0.21 0.22 116.57 121.15 2qbg h LYS 26 Ca -0.04 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.06 2qbg h LYS 26 Cb 1.26 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.87 2qbg h LYS 26 CO 0.13 0.00 -2.16 0.45 -1.08 0.00 0.00 179.45 176.79 2qbg n SER 27 N -3.34 1.94 0.00 0.86 2.88 -0.88 -5.08 113.62 110.00 2qbg n SER 27 Ca -0.01 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2qbg n SER 27 Cb 0.25 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2qbg n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qbg n ASN 28 N -3.36 0.00 -1.31 -3.46 6.94 0.31 -5.10 115.26 109.28 2qbg n ASN 28 Ca -0.36 0.00 0.15 0.00 -0.02 0.00 0.00 54.58 54.35 2qbg n ASN 28 Cb 1.03 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 38.37 2qbg n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qbg n THR 29 N -0.71 -0.78 -3.73 5.53 -2.24 -1.26 -2.48 114.28 108.61 2qbg n THR 29 Ca 0.00 0.80 -0.15 0.00 -2.27 0.00 0.00 64.05 62.43 2qbg n THR 29 Cb 0.00 -1.21 -0.15 0.00 -2.10 0.00 0.00 70.33 66.87 2qbg n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qbg s ILE 30 N -4.41 -0.10 0.23 2.28 2.07 -1.26 -4.10 121.20 115.91 2qbg s ILE 30 Ca 0.00 0.23 -0.04 0.00 -1.41 0.00 0.00 60.65 59.43 2qbg s ILE 30 Cb 0.00 -0.24 -0.05 0.00 0.13 0.00 0.00 42.46 42.30 2qbg s ILE 30 CO 0.00 0.09 0.47 0.68 -1.91 0.00 0.00 174.94 174.27 2qbg s VAL 31 N 1.43 5.11 -0.29 4.00 -7.23 -1.26 -1.55 120.40 120.60 2qbg s VAL 31 Ca -0.06 -0.07 -0.20 0.00 -1.81 0.00 0.00 61.98 59.84 2qbg s VAL 31 Cb -0.12 -3.71 0.17 0.00 0.56 0.00 0.00 36.38 33.28 2qbg s VAL 31 CO -0.06 -0.19 1.18 -1.48 -0.31 0.00 0.00 175.10 174.24 2qbg s LEU 32 N -3.27 -0.27 -0.01 1.32 2.34 -1.26 -2.76 118.68 114.77 2qbg s LEU 32 Ca 0.42 0.46 -0.36 0.00 0.06 0.00 0.00 54.13 54.71 2qbg s LEU 32 Cb -0.11 1.44 -0.14 0.00 -0.56 0.00 0.00 46.19 46.82 2qbg s LEU 32 CO 0.28 -0.08 1.65 1.17 -1.06 0.00 0.00 176.35 178.31 2qbg n LYS 33 N 2.73 1.77 -3.40 1.48 4.81 0.26 -1.73 118.16 124.07 2qbg n LYS 33 Ca -0.15 0.64 -0.26 0.00 -0.87 0.00 0.00 58.31 57.67 2qbg n LYS 33 Cb 0.57 -2.39 -0.08 0.00 0.02 0.00 0.00 35.03 33.14 2qbg n LYS 33 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2qbg n VAL 34 N 3.96 0.99 0.00 3.15 0.24 -1.21 -1.11 118.33 124.35 2qbg n VAL 34 Ca 0.21 -4.64 0.00 0.00 -2.04 0.00 0.00 64.34 57.86 2qbg n VAL 34 Cb 0.24 -2.03 0.00 0.00 -1.47 0.00 0.00 33.84 30.58 2qbg n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbg n ALA 35 N 1.32 0.00 0.00 2.33 0.00 -1.16 -4.42 120.51 118.58 2qbg n ALA 35 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2qbg n ALA 35 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2qbg n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qbg n LYS 36 N 8.73 0.00 0.16 0.00 0.00 -1.26 -3.53 118.16 122.26 2qbg n LYS 36 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.24 2qbg n LYS 36 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 2qbg n LYS 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2qbg h ASP 37 N 0.00 -0.41 0.00 3.14 3.45 -1.99 -3.47 116.42 117.14 2qbg h ASP 37 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2qbg h ASP 37 Cb 0.00 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 2qbg h ASP 37 CO 0.00 0.02 0.00 0.00 -1.57 0.00 0.00 179.24 177.69 2qbg n ALA 38 N -2.72 0.00 0.00 3.45 0.00 -1.26 -4.88 120.51 115.09 2qbg n ALA 38 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2qbg n ALA 38 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2qbg n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qbg n THR 39 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.92 114.28 113.76 2qbg n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qbg n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qbg n THR 39 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2qbg n LYS 40 N 0.00 0.00 -0.05 1.09 4.81 -1.26 -4.46 118.16 118.28 2qbg n LYS 40 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2qbg n LYS 40 Cb 0.00 -3.42 -0.14 0.00 0.02 0.00 0.00 35.03 31.49 2qbg n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbg n ALA 41 N 0.84 2.05 -0.01 3.14 0.00 -1.26 -3.92 120.51 121.36 2qbg n ALA 41 Ca 0.00 -0.85 0.10 0.00 0.00 0.00 0.00 53.44 52.69 2qbg n ALA 41 Cb 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 19.45 18.96 2qbg n ALA 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qbg n GLU 42 N -2.43 0.59 0.20 0.00 0.28 -1.26 -3.24 120.64 114.77 2qbg n GLU 42 Ca -0.18 -0.18 0.06 0.00 -0.16 0.00 0.00 57.16 56.71 2qbg n GLU 42 Cb 0.82 -1.46 0.39 0.00 1.43 0.00 0.00 31.44 32.62 2qbg n GLU 42 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 2qbg h ILE 43 N 0.00 0.86 0.07 3.84 2.10 -1.90 0.13 117.51 122.61 2qbg h ILE 43 Ca 0.00 -1.35 -0.00 0.00 1.08 0.00 0.00 64.86 64.59 2qbg h ILE 43 Cb 0.89 1.82 0.00 0.00 -1.09 0.00 0.00 36.82 38.44 2qbg h ILE 43 CO 0.00 0.33 -0.03 0.50 -1.08 0.00 0.00 178.15 177.86 2qbg h LYS 44 N 0.00 -0.09 0.00 2.19 3.64 -1.68 -3.06 116.57 117.57 2qbg h LYS 44 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qbg h LYS 44 Cb 0.79 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2qbg h LYS 44 CO 0.04 0.28 0.00 0.00 -2.27 0.00 0.00 179.45 177.51 2qbg n ALA 45 N -2.68 1.22 -0.07 5.00 0.00 -1.14 -1.39 120.51 121.45 2qbg n ALA 45 Ca -0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 2qbg n ALA 45 Cb 0.20 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.51 2qbg n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg h ALA 46 N 2.09 0.01 0.00 0.00 0.00 -0.68 -2.91 119.26 117.77 2qbg h ALA 46 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qbg h ALA 46 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qbg h ALA 46 CO 0.00 0.03 0.00 0.28 0.00 0.00 0.00 179.25 179.56 2qbg h VAL 47 N -1.00 0.00 0.00 0.00 2.07 -1.13 -2.76 116.25 113.44 2qbg h VAL 47 Ca -0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2qbg h VAL 47 Cb 0.91 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2qbg h VAL 47 CO -0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.58 2qbg n GLN 48 N -2.35 0.00 0.00 1.57 1.13 -0.79 -2.34 117.38 114.61 2qbg n GLN 48 Ca 0.02 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.43 2qbg n GLN 48 Cb 0.22 -1.01 0.00 0.00 0.11 0.00 0.00 30.24 29.56 2qbg n GLN 48 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2qbg n LYS 49 N -1.58 0.00 -1.08 -1.09 4.76 -1.10 -2.48 118.16 115.59 2qbg n LYS 49 Ca 0.00 0.28 -0.30 0.00 -2.87 0.00 0.00 58.31 55.42 2qbg n LYS 49 Cb 0.00 -1.05 0.15 0.00 -1.84 0.00 0.00 35.03 32.29 2qbg n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qbg s LEU 50 N -1.83 2.15 0.00 -0.35 2.01 -1.04 -2.98 118.68 116.64 2qbg s LEU 50 Ca 0.00 1.56 0.00 0.00 0.01 0.00 0.00 54.13 55.70 2qbg s LEU 50 Cb 0.00 -3.92 0.00 0.00 0.01 0.00 0.00 46.19 42.28 2qbg s LEU 50 CO 0.00 -2.87 0.00 0.49 1.01 0.00 0.00 176.35 174.98 2qbg n PHE 51 N -4.04 0.00 -3.10 0.29 0.99 -1.26 -4.31 117.46 106.03 2qbg n PHE 51 Ca 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.48 2qbg n PHE 51 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.03 2qbg n PHE 51 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2qbg n GLU 52 N 0.00 -1.51 -4.21 -1.08 1.02 -1.03 -5.03 120.64 108.79 2qbg n GLU 52 Ca 0.00 1.53 -0.12 0.00 -0.02 0.00 0.00 57.16 58.55 2qbg n GLU 52 Cb 0.00 -5.40 -0.10 0.00 -0.02 0.00 0.00 31.44 25.92 2qbg n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qbg s VAL 53 N -2.92 0.38 0.02 2.62 1.01 -0.99 -5.03 120.40 115.49 2qbg s VAL 53 Ca 0.04 -1.96 -0.11 0.00 0.00 0.00 0.00 61.98 59.96 2qbg s VAL 53 Cb -0.01 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 2qbg s VAL 53 CO 0.77 -0.37 1.16 -0.33 0.00 0.00 0.00 175.10 176.33 2qbg h GLU 54 N 2.72 -0.37 -4.77 2.72 4.39 -1.88 -3.40 114.58 113.99 2qbg h GLU 54 Ca -0.36 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2qbg h GLU 54 Cb 1.21 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.89 2qbg h GLU 54 CO 0.60 -0.25 -1.10 0.28 -1.16 0.00 0.00 179.01 177.39 2qbg n VAL 55 N -3.04-11.08 0.00 3.13 0.31 -1.26 -4.76 118.33 101.63 2qbg n VAL 55 Ca -0.05 1.97 0.00 0.00 -0.01 0.00 0.00 64.34 66.25 2qbg n VAL 55 Cb 0.15 -6.36 0.00 0.00 -0.91 0.00 0.00 33.84 26.73 2qbg n VAL 55 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qbg n GLU 56 N 0.99 0.00 -0.03 5.55 2.13 -0.45 -4.69 120.64 124.14 2qbg n GLU 56 Ca -0.17 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2qbg n GLU 56 Cb 0.26 -1.11 0.00 0.00 0.27 0.00 0.00 31.44 30.86 2qbg n GLU 56 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2qbg n VAL 57 N -1.99 0.00 0.00 6.31 3.14 -1.21 -5.00 118.33 119.59 2qbg n VAL 57 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2qbg n VAL 57 Cb 0.00 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 2qbg n VAL 57 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2qbg n VAL 58 N -0.01 0.00 -4.13 1.55 3.14 -1.19 -4.41 118.33 113.28 2qbg n VAL 58 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 2qbg n VAL 58 Cb 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 32.62 2qbg n VAL 58 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2qbg s ASN 59 N 0.00 3.24 0.32 6.55 0.01 -0.65 -5.01 114.94 119.40 2qbg s ASN 59 Ca 0.00 -0.62 0.07 0.00 -0.71 0.00 0.00 52.86 51.60 2qbg s ASN 59 Cb 0.00 -1.50 -0.02 0.00 0.41 0.00 0.00 41.25 40.14 2qbg s ASN 59 CO 0.00 0.00 0.38 0.42 -1.51 0.00 0.00 177.10 176.40 2qbg s THR 60 N 1.28 3.99 -0.28 1.60 -4.23 -1.25 -4.08 115.64 112.67 2qbg s THR 60 Ca 0.04 -1.15 -0.22 0.00 -1.18 0.00 0.00 61.69 59.19 2qbg s THR 60 Cb -0.13 -3.36 0.10 0.00 1.34 0.00 0.00 72.50 70.44 2qbg s THR 60 CO -0.11 -0.19 0.84 -1.48 -0.54 0.00 0.00 174.62 173.14 2qbg s LEU 61 N -4.08 -0.67 0.29 4.79 0.05 -1.19 -4.91 118.68 112.96 2qbg s LEU 61 Ca 0.42 1.21 -0.19 0.00 0.05 0.00 0.00 54.13 55.62 2qbg s LEU 61 Cb -0.08 2.18 -0.09 0.00 -2.05 0.00 0.00 46.19 46.15 2qbg s LEU 61 CO 0.29 -0.20 0.78 -0.69 -0.55 0.00 0.00 176.35 175.98 2qbg s VAL 62 N 0.73 4.54 -0.23 1.48 1.01 -1.26 -0.34 120.40 126.33 2qbg s VAL 62 Ca -0.02 1.26 0.02 0.00 0.00 0.00 0.00 61.98 63.24 2qbg s VAL 62 Cb -0.05 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2qbg s VAL 62 CO -0.08 0.02 -0.13 -0.69 0.00 0.00 0.00 175.10 174.22 2qbg s VAL 63 N -1.75 2.20 0.00 2.92 1.01 0.12 -4.95 120.40 119.94 2qbg s VAL 63 Ca 0.49 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2qbg s VAL 63 Cb -0.14 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2qbg s VAL 63 CO 0.19 0.17 0.00 0.29 0.00 0.00 0.00 175.10 175.75 2qbg n LYS 64 N 4.51 0.00 0.00 2.72 4.01 -1.26 -2.67 118.16 125.47 2qbg n LYS 64 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 2qbg n LYS 64 Cb 0.45 -0.36 0.00 0.00 -0.51 0.00 0.00 35.03 34.61 2qbg n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qbg n GLY 65 N 0.00 3.48 3.27 0.72 0.00 -1.26 -3.11 105.19 108.29 2qbg n GLY 65 Ca 0.00 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 2qbg n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbg n LYS 66 N 0.00 -3.44 -3.65 1.61 4.76 -1.26 -4.39 118.16 111.79 2qbg n LYS 66 Ca 0.00 -1.00 -0.02 0.00 -2.87 0.00 0.00 58.31 54.41 2qbg n LYS 66 Cb 0.00 -1.91 -0.05 0.00 -1.84 0.00 0.00 35.03 31.23 2qbg n LYS 66 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qbg s VAL 67 N -2.21 -0.88 0.00 -0.18 0.11 -1.26 -0.98 120.40 115.01 2qbg s VAL 67 Ca 0.62 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 2qbg s VAL 67 Cb -0.16 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 2qbg s VAL 67 CO 0.58 0.01 0.00 0.29 -3.33 0.00 0.00 175.10 172.65 2qbg n LYS 68 N 5.36 0.00 0.00 1.54 4.01 -0.84 -4.94 118.16 123.28 2qbg n LYS 68 Ca -0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 2qbg n LYS 68 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 2qbg n LYS 68 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2qbg n ARG 69 N 0.00 0.00 -2.69 1.97 3.00 -1.26 -3.57 116.66 114.11 2qbg n ARG 69 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 2qbg n ARG 69 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 2qbg n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2qbg s HIS 70 N -3.81 3.54 0.00 -0.14 -3.43 -1.26 -4.87 115.29 105.32 2qbg s HIS 70 Ca 0.00 0.86 0.00 0.00 -0.80 0.00 0.00 55.06 55.12 2qbg s HIS 70 Cb 0.00 -2.33 0.00 0.00 -1.43 0.00 0.00 32.58 28.82 2qbg s HIS 70 CO 0.00 -0.23 0.00 0.41 -2.00 0.00 0.00 174.74 172.92 2qbg n GLY 71 N -2.02 2.85 0.63 -1.38 0.00 -1.26 -2.39 105.19 101.62 2qbg n GLY 71 Ca 0.01 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.96 2qbg n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbg n GLN 72 N 14.00 1.86 -3.79 1.61 10.64 -1.26 -4.90 117.38 135.53 2qbg n GLN 72 Ca 0.00 -1.26 -0.27 0.00 -1.83 0.00 0.00 57.00 53.64 2qbg n GLN 72 Cb 0.00 -1.45 -0.03 0.00 -0.86 0.00 0.00 30.24 27.90 2qbg n GLN 72 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2qbg s ARG 73 N -1.87 3.49 0.17 2.61 1.81 -1.01 -5.12 118.95 119.03 2qbg s ARG 73 Ca 0.35 -0.45 0.11 0.00 -1.72 0.00 0.00 55.73 54.01 2qbg s ARG 73 Cb 0.20 -2.89 -0.04 0.00 -0.45 0.00 0.00 34.95 31.77 2qbg s ARG 73 CO 0.30 0.44 -0.21 -1.50 -0.68 0.00 0.00 175.30 173.65 2qbg s ILE 74 N -1.83 2.55 -0.18 1.52 1.10 -1.26 -4.11 121.20 118.99 2qbg s ILE 74 Ca 0.37 -1.85 -0.05 0.00 -0.51 0.00 0.00 60.65 58.62 2qbg s ILE 74 Cb -0.11 -2.21 0.07 0.00 0.15 0.00 0.00 42.46 40.37 2qbg s ILE 74 CO 0.29 -0.05 0.15 -0.83 -2.11 0.00 0.00 174.94 172.39 2qbg s GLY 75 N -2.52 0.19 0.22 1.50 0.00 -1.23 -4.92 107.32 100.57 2qbg s GLY 75 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.88 2qbg s GLY 75 CO 0.10 1.91 0.41 0.50 0.00 0.00 0.00 173.10 176.02 2qbg s ARG 76 N 2.22 3.51 0.44 2.90 0.52 -1.26 -1.99 118.95 125.29 2qbg s ARG 76 Ca 0.04 -0.38 0.08 0.00 -0.52 0.00 0.00 55.73 54.96 2qbg s ARG 76 Cb -0.16 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.51 2qbg s ARG 76 CO -0.10 0.37 0.57 1.03 0.02 0.00 0.00 175.30 177.18 2qbg s ARG 77 N -3.51 2.73 0.49 3.54 0.52 -0.15 -4.98 118.95 117.59 2qbg s ARG 77 Ca 0.38 -1.33 -0.04 0.00 -0.52 0.00 0.00 55.73 54.22 2qbg s ARG 77 Cb -0.11 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.66 2qbg s ARG 77 CO 0.30 -0.33 0.77 -1.12 0.02 0.00 0.00 175.30 174.94 2qbg s SER 78 N -4.35 5.97 0.63 0.23 0.01 -1.26 -4.73 113.70 110.19 2qbg s SER 78 Ca 0.55 0.67 0.03 0.00 1.31 0.00 0.00 55.95 58.50 2qbg s SER 78 Cb -0.09 -1.90 0.09 0.00 0.21 0.00 0.00 66.02 64.33 2qbg s SER 78 CO 0.33 -0.72 0.87 -1.81 0.41 0.00 0.00 173.24 172.31 2qbg s ASP 79 N -4.18 4.82 -0.15 2.44 -0.00 -1.18 -4.38 116.67 114.04 2qbg s ASP 79 Ca 0.49 -0.39 -0.31 0.00 -0.00 0.00 0.00 52.55 52.33 2qbg s ASP 79 Cb -0.10 -0.19 0.13 0.00 -0.00 0.00 0.00 42.92 42.76 2qbg s ASP 79 CO 0.42 -1.50 1.09 -1.66 -0.00 0.00 0.00 175.17 173.52 2qbg s TRP 80 N -2.89 -0.25 0.53 4.23 1.48 -1.09 -4.95 118.94 116.00 2qbg s TRP 80 Ca 0.62 0.29 -0.05 0.00 -1.06 0.00 0.00 56.10 55.91 2qbg s TRP 80 Cb -0.07 0.50 -0.01 0.00 -1.16 0.00 0.00 33.47 32.73 2qbg s TRP 80 CO 0.41 -0.30 0.83 0.15 -4.06 0.00 0.00 176.95 173.97 2qbg s LYS 81 N -1.96 3.14 -0.11 3.25 1.02 -1.23 0.14 119.74 124.00 2qbg s LYS 81 Ca 0.05 -0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.05 2qbg s LYS 81 Cb -0.01 -2.35 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2qbg s LYS 81 CO -0.04 -0.47 -0.20 0.21 -0.92 0.00 0.00 175.35 173.93 2qbg s LYS 82 N -4.84 2.68 0.00 1.68 2.20 0.54 -3.33 119.74 118.67 2qbg s LYS 82 Ca 0.51 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 2qbg s LYS 82 Cb -0.10 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 2qbg s LYS 82 CO 0.44 0.05 0.19 0.00 -0.36 0.00 0.00 175.35 175.66 2qbg n ALA 83 N 3.88 0.00 -2.96 3.13 0.00 -0.71 -3.16 120.51 120.69 2qbg n ALA 83 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 2qbg n ALA 83 Cb 0.52 0.01 0.05 0.00 0.00 0.00 0.00 19.45 20.03 2qbg n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qbg n TYR 84 N -0.20 -2.13 0.19 0.00 4.02 -1.16 -3.82 117.16 114.05 2qbg n TYR 84 Ca 0.00 0.75 -0.12 0.00 -0.01 0.00 0.00 57.90 58.52 2qbg n TYR 84 Cb 0.00 -3.86 -0.07 0.00 -0.02 0.00 0.00 39.34 35.39 2qbg n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2qbg h VAL 85 N -0.78 0.45 -3.80 -0.72 2.07 -1.57 -1.73 116.25 110.16 2qbg h VAL 85 Ca -0.46 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2qbg h VAL 85 Cb 1.24 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2qbg h VAL 85 CO 0.36 0.09 -0.70 0.35 0.02 0.00 0.00 177.57 177.69 2qbg n THR 86 N -5.15-10.21 -4.58 2.57 -2.24 -1.26 -3.14 114.28 90.27 2qbg n THR 86 Ca -0.09 2.31 -0.31 0.00 -2.27 0.00 0.00 64.05 63.68 2qbg n THR 86 Cb 0.28 -5.07 -0.12 0.00 -2.10 0.00 0.00 70.33 63.32 2qbg n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qbg s LEU 87 N -0.41 2.86 0.00 3.22 1.02 -1.26 -1.34 118.68 122.76 2qbg s LEU 87 Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 54.13 53.86 2qbg s LEU 87 Cb 0.00 -1.66 0.00 0.00 0.02 0.00 0.00 46.19 44.55 2qbg s LEU 87 CO 0.00 0.27 0.00 0.29 0.02 0.00 0.00 176.35 176.93 2qbg n LYS 88 N 1.57 0.00 0.00 1.70 4.76 -1.26 -4.62 118.16 120.31 2qbg n LYS 88 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2qbg n LYS 88 Cb 0.52 -0.09 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 2qbg n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qbg n GLU 89 N 0.00 -0.64 0.00 1.97 -0.58 -1.26 -4.60 120.64 115.53 2qbg n GLU 89 Ca 0.00 -0.55 0.06 0.00 -0.42 0.00 0.00 57.16 56.24 2qbg n GLU 89 Cb 0.00 -0.98 0.28 0.00 -0.57 0.00 0.00 31.44 30.17 2qbg n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbg n GLY 90 N -0.04 -0.76 3.54 0.62 0.00 -1.26 -4.65 105.19 102.63 2qbg n GLY 90 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2qbg n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qbg n GLN 91 N -1.37 0.46 0.00 1.61 6.02 -1.26 -4.51 117.38 118.33 2qbg n GLN 91 Ca 0.05 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.61 2qbg n GLN 91 Cb 0.11 -2.81 0.00 0.00 1.02 0.00 0.00 30.24 28.56 2qbg n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2qbg n ASN 92 N 14.35 0.00 -0.26 1.08 5.03 -1.26 -5.17 115.26 129.03 2qbg n ASN 92 Ca 0.52 0.00 0.03 0.00 0.87 0.00 0.00 54.58 56.00 2qbg n ASN 92 Cb 0.35 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.13 2qbg n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61