#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe n ILE 2 N 0.00 1.67 -3.68 3.17 -0.00 -1.26 -4.84 119.36 114.41 2qbe n ILE 2 Ca 0.00 -0.58 -0.25 0.00 -0.00 0.00 0.00 62.75 61.91 2qbe n ILE 2 Cb 0.00 -1.65 -0.17 0.00 -0.00 0.00 0.00 39.64 37.82 2qbe n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2qbe s ARG 3 N -2.53 0.33 0.49 6.28 3.03 -1.26 -5.13 118.95 120.16 2qbe s ARG 3 Ca -0.27 -0.11 -0.22 0.00 2.03 0.00 0.00 55.73 57.15 2qbe s ARG 3 Cb 0.08 -1.64 -0.08 0.00 -1.03 0.00 0.00 34.95 32.28 2qbe s ARG 3 CO 0.70 -0.56 1.04 0.39 -1.13 0.00 0.00 175.30 175.73 2qbe n GLU 4 N 5.18 1.29 0.31 3.89 -0.58 -1.26 -4.87 120.64 124.60 2qbe n GLU 4 Ca -0.07 0.47 0.20 0.00 -0.42 0.00 0.00 57.16 57.34 2qbe n GLU 4 Cb 0.49 -2.16 1.01 0.00 -0.57 0.00 0.00 31.44 30.21 2qbe n GLU 4 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2qbe h GLU 5 N 1.23 0.00 -0.62 3.49 4.11 -2.00 -2.46 114.58 118.33 2qbe h GLU 5 Ca -0.47 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.09 2qbe h GLU 5 Cb 1.34 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.49 2qbe h GLU 5 CO 0.55 0.01 0.03 0.00 0.07 0.00 0.00 179.01 179.68 2qbe h ARG 6 N 0.00 0.14 -2.47 1.06 2.47 -2.07 -2.12 114.38 111.39 2qbe h ARG 6 Ca -0.00 -0.01 -0.72 0.00 -1.26 0.00 0.00 59.98 57.99 2qbe h ARG 6 Cb 0.17 -0.03 -0.34 0.00 -1.65 0.00 0.00 29.97 28.12 2qbe h ARG 6 CO 0.00 0.10 0.24 -0.11 0.56 0.00 0.00 179.97 180.76 2qbe n LEU 7 N -5.25 5.62 -1.27 3.04 -0.00 -0.92 -4.65 117.00 113.57 2qbe n LEU 7 Ca 0.09 -5.39 0.04 0.00 -0.00 0.00 0.00 56.01 50.75 2qbe n LEU 7 Cb 0.36 -0.97 0.03 0.00 -0.00 0.00 0.00 43.42 42.84 2qbe n LEU 7 CO 0.12 1.98 0.12 0.18 -0.00 0.00 0.00 177.39 179.78 2qbe n LEU 8 N 0.63 1.00 -1.24 -1.96 4.77 -0.80 -4.78 117.00 114.62 2qbe n LEU 8 Ca 0.32 -2.01 0.04 0.00 -0.03 0.00 0.00 56.01 54.33 2qbe n LEU 8 Cb 0.35 -0.05 0.22 0.00 -2.33 0.00 0.00 43.42 41.61 2qbe n LEU 8 CO 0.54 0.53 0.58 2.29 -1.33 0.00 0.00 177.39 180.01 2qbe n LYS 9 N 0.28 3.08 -0.32 3.23 0.00 -1.26 -4.53 118.16 118.64 2qbe n LYS 9 Ca 0.06 -1.68 0.00 0.00 -0.00 0.00 0.00 58.31 56.69 2qbe n LYS 9 Cb 1.04 -1.91 0.07 0.00 -0.00 0.00 0.00 35.03 34.24 2qbe n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qbe h VAL 10 N 2.14 0.08 -2.11 0.58 2.07 -1.94 -3.36 116.25 113.72 2qbe h VAL 10 Ca 0.00 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.95 2qbe h VAL 10 Cb 1.28 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2qbe h VAL 10 CO 0.26 0.00 1.46 -0.76 0.02 0.00 0.00 177.57 178.55 2qbe s LEU 11 N -10.99 3.44 0.03 2.57 2.01 -1.26 -2.98 118.68 111.51 2qbe s LEU 11 Ca -0.14 1.63 0.21 0.00 0.01 0.00 0.00 54.13 55.83 2qbe s LEU 11 Cb 0.21 -3.38 -0.20 0.00 0.01 0.00 0.00 46.19 42.83 2qbe s LEU 11 CO 0.73 -2.02 0.65 0.54 1.01 0.00 0.00 176.35 177.27 2qbe n ARG 12 N 8.73 0.64 -3.65 1.70 1.74 -0.30 -4.95 116.66 120.57 2qbe n ARG 12 Ca 0.29 -0.02 -0.03 0.00 -0.77 0.00 0.00 57.85 57.31 2qbe n ARG 12 Cb 0.47 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 2qbe n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbe s ALA 13 N -3.27 -2.18 -0.78 7.54 0.00 -0.46 -4.97 121.76 117.63 2qbe s ALA 13 Ca -0.05 1.73 -0.26 0.00 0.00 0.00 0.00 51.96 53.38 2qbe s ALA 13 Cb 0.11 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.58 2qbe s ALA 13 CO 0.85 -0.14 1.29 -1.25 0.00 0.00 0.00 175.76 176.51 2qbe s PRO 14 N -0.18 3.26 0.28 0.00 0.04 -1.26 0.78 135.00 137.91 2qbe s PRO 14 Ca 0.07 -0.44 -0.03 0.00 0.04 0.00 0.00 61.00 60.64 2qbe s PRO 14 Cb -0.04 -4.39 0.37 0.00 0.04 0.00 0.00 34.50 30.49 2qbe s PRO 14 CO -0.13 -2.14 1.93 1.25 0.04 0.00 0.00 177.00 177.95 2qbe h HIS 15 N 9.95 1.10 -0.57 0.56 2.76 -1.82 -3.46 115.15 123.67 2qbe h HIS 15 Ca -0.20 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.98 2qbe h HIS 15 Cb 1.04 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.64 2qbe h HIS 15 CO 1.15 0.72 0.00 0.28 -1.30 0.00 0.00 177.93 178.77 2qbe n VAL 16 N -4.38 0.00 -3.76 5.26 0.31 -1.13 -4.84 118.33 109.79 2qbe n VAL 16 Ca 0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.29 2qbe n VAL 16 Cb 0.05 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.88 2qbe n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2qbe s SER 17 N 0.00 -0.32 0.24 4.52 0.01 -1.26 -4.89 113.70 112.00 2qbe s SER 17 Ca 0.00 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2qbe s SER 17 Cb 0.00 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2qbe s SER 17 CO 0.00 -0.18 0.00 1.21 0.41 0.00 0.00 173.24 174.68 2qbe n GLU 18 N 2.57 -1.34 -0.20 12.44 4.07 -1.26 -3.62 120.64 133.30 2qbe n GLU 18 Ca -0.15 1.09 -0.02 0.00 -0.06 0.00 0.00 57.16 58.02 2qbe n GLU 18 Cb 0.57 -1.53 -0.03 0.00 -0.06 0.00 0.00 31.44 30.39 2qbe n GLU 18 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2qbe n LYS 19 N -2.81 0.40 0.00 5.31 4.81 -1.26 -3.05 118.16 121.56 2qbe n LYS 19 Ca -0.03 -0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 2qbe n LYS 19 Cb 0.26 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.76 2qbe n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbe n ALA 20 N 2.58 2.34 0.08 3.14 0.00 -1.26 -4.55 120.51 122.83 2qbe n ALA 20 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 2qbe n ALA 20 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 2qbe n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qbe h SER 21 N 0.00 -0.79 -0.20 0.00 4.64 -1.61 1.05 113.55 116.63 2qbe h SER 21 Ca 0.00 0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.26 2qbe h SER 21 Cb 0.00 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2qbe h SER 21 CO 0.00 -0.34 -0.51 0.71 -0.87 0.00 0.00 176.83 175.82 2qbe h THR 22 N -0.43 1.31 -0.00 2.95 1.35 -1.73 1.21 112.91 117.56 2qbe h THR 22 Ca 0.05 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2qbe h THR 22 Cb 0.50 1.86 -0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2qbe h THR 22 CO -0.21 0.55 0.01 0.00 -0.25 0.00 0.00 175.52 175.61 2qbe h ALA 23 N 0.60 1.33 0.00 6.62 0.00 -1.55 1.52 119.26 127.78 2qbe h ALA 23 Ca -0.01 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2qbe h ALA 23 Cb 1.12 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2qbe h ALA 23 CO 0.11 -0.01 -2.13 -1.33 0.00 0.00 0.00 179.25 175.89 2qbe n MET 24 N -3.55 0.67 -0.06 0.00 2.81 0.36 -4.15 117.12 113.19 2qbe n MET 24 Ca -0.03 -0.07 -0.16 0.00 -1.81 0.00 0.00 57.70 55.64 2qbe n MET 24 Cb 0.09 -1.55 -0.06 0.00 -0.71 0.00 0.00 33.22 30.99 2qbe n MET 24 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2qbe h GLU 25 N 0.00 0.80 -0.04 0.03 4.81 0.45 1.16 114.58 121.79 2qbe h GLU 25 Ca -0.28 -0.55 0.01 0.00 -0.13 0.00 0.00 59.36 58.41 2qbe h GLU 25 Cb 1.66 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.12 2qbe h GLU 25 CO 0.02 1.18 0.10 0.87 -0.73 0.00 0.00 179.01 180.45 2qbe h LYS 26 N 0.55 0.00 0.06 1.92 1.79 0.18 0.11 116.57 121.19 2qbe h LYS 26 Ca -0.01 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.09 2qbe h LYS 26 Cb 1.19 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.80 2qbe h LYS 26 CO 0.13 0.00 -2.21 0.45 -1.08 0.00 0.00 179.45 176.73 2qbe n SER 27 N -3.30 1.96 0.00 0.86 2.88 -0.77 -5.09 113.62 110.16 2qbe n SER 27 Ca -0.02 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2qbe n SER 27 Cb 0.18 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2qbe n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qbe n ASN 28 N -3.35 0.00 -1.40 -3.46 6.94 0.39 -5.10 115.26 109.29 2qbe n ASN 28 Ca -0.38 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.32 2qbe n ASN 28 Cb 1.03 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 38.37 2qbe n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qbe n THR 29 N -0.71 -1.17 -3.74 5.53 -2.24 -1.26 -2.48 114.28 108.21 2qbe n THR 29 Ca 0.00 0.95 -0.16 0.00 -2.27 0.00 0.00 64.05 62.57 2qbe n THR 29 Cb 0.00 -1.46 -0.16 0.00 -2.10 0.00 0.00 70.33 66.61 2qbe n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qbe s ILE 30 N -4.59 -0.08 0.24 2.28 2.07 -1.26 -4.05 121.20 115.81 2qbe s ILE 30 Ca 0.00 0.26 -0.03 0.00 -1.41 0.00 0.00 60.65 59.47 2qbe s ILE 30 Cb 0.00 -0.14 -0.05 0.00 0.13 0.00 0.00 42.46 42.40 2qbe s ILE 30 CO 0.00 0.11 0.47 0.68 -1.91 0.00 0.00 174.94 174.29 2qbe s VAL 31 N 1.40 5.10 -0.29 4.00 -7.23 -1.26 -1.58 120.40 120.53 2qbe s VAL 31 Ca -0.05 -0.09 -0.20 0.00 -1.81 0.00 0.00 61.98 59.83 2qbe s VAL 31 Cb -0.12 -3.71 0.17 0.00 0.56 0.00 0.00 36.38 33.27 2qbe s VAL 31 CO -0.04 -0.21 1.19 -1.48 -0.31 0.00 0.00 175.10 174.25 2qbe s LEU 32 N -3.32 -0.25 -0.01 1.32 2.34 -1.26 -2.80 118.68 114.70 2qbe s LEU 32 Ca 0.42 0.42 -0.36 0.00 0.06 0.00 0.00 54.13 54.67 2qbe s LEU 32 Cb -0.11 1.40 -0.14 0.00 -0.56 0.00 0.00 46.19 46.78 2qbe s LEU 32 CO 0.29 -0.07 1.63 1.17 -1.06 0.00 0.00 176.35 178.31 2qbe n LYS 33 N 2.76 1.71 -3.44 1.48 4.81 0.23 -1.78 118.16 123.92 2qbe n LYS 33 Ca -0.15 0.62 -0.26 0.00 -0.87 0.00 0.00 58.31 57.65 2qbe n LYS 33 Cb 0.57 -2.36 -0.09 0.00 0.02 0.00 0.00 35.03 33.17 2qbe n LYS 33 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2qbe n VAL 34 N 3.87 0.86 0.00 3.15 0.24 -1.21 -1.15 118.33 124.09 2qbe n VAL 34 Ca 0.21 -4.56 0.00 0.00 -2.04 0.00 0.00 64.34 57.94 2qbe n VAL 34 Cb 0.23 -2.01 0.00 0.00 -1.47 0.00 0.00 33.84 30.59 2qbe n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbe n ALA 35 N 1.49 0.00 0.00 2.33 0.00 -1.16 -4.43 120.51 118.74 2qbe n ALA 35 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2qbe n ALA 35 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2qbe n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qbe n LYS 36 N 8.85 0.00 0.16 0.00 0.00 -1.26 -3.55 118.16 122.36 2qbe n LYS 36 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.24 2qbe n LYS 36 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 2qbe n LYS 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2qbe h ASP 37 N 0.00 -0.41 0.00 3.14 3.45 -1.99 -3.47 116.42 117.14 2qbe h ASP 37 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2qbe h ASP 37 Cb 0.00 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 2qbe h ASP 37 CO 0.00 -0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.67 2qbe n ALA 38 N -2.69 0.00 0.00 3.45 0.00 -1.26 -4.88 120.51 115.12 2qbe n ALA 38 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2qbe n ALA 38 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2qbe n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qbe n THR 39 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.92 114.28 113.76 2qbe n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qbe n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qbe n THR 39 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2qbe n LYS 40 N 0.00 0.00 -0.06 1.09 4.81 -1.26 -4.43 118.16 118.30 2qbe n LYS 40 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 2qbe n LYS 40 Cb 0.00 -3.63 -0.14 0.00 0.02 0.00 0.00 35.03 31.28 2qbe n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbe n ALA 41 N 0.92 1.91 -0.01 3.14 0.00 -1.26 -3.91 120.51 121.30 2qbe n ALA 41 Ca 0.00 -0.95 0.10 0.00 0.00 0.00 0.00 53.44 52.59 2qbe n ALA 41 Cb 0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 19.45 19.01 2qbe n ALA 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qbe n GLU 42 N -2.50 0.63 0.20 0.00 0.28 -1.26 -3.15 120.64 114.84 2qbe n GLU 42 Ca -0.21 -0.19 0.07 0.00 -0.16 0.00 0.00 57.16 56.67 2qbe n GLU 42 Cb 0.90 -1.50 0.41 0.00 1.43 0.00 0.00 31.44 32.68 2qbe n GLU 42 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 2qbe h ILE 43 N 0.00 0.83 0.06 3.84 2.10 -1.89 0.15 117.51 122.60 2qbe h ILE 43 Ca -0.01 -1.31 -0.00 0.00 1.08 0.00 0.00 64.86 64.62 2qbe h ILE 43 Cb 0.98 1.80 0.00 0.00 -1.09 0.00 0.00 36.82 38.51 2qbe h ILE 43 CO 0.00 0.31 -0.03 0.50 -1.08 0.00 0.00 178.15 177.86 2qbe h LYS 44 N 0.00 -0.07 0.00 2.19 3.64 -1.68 -3.07 116.57 117.58 2qbe h LYS 44 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qbe h LYS 44 Cb 0.78 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2qbe h LYS 44 CO 0.04 0.34 0.00 0.00 -2.27 0.00 0.00 179.45 177.56 2qbe n ALA 45 N -2.68 1.28 -0.07 5.00 0.00 -1.13 -1.42 120.51 121.48 2qbe n ALA 45 Ca -0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 2qbe n ALA 45 Cb 0.22 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.50 2qbe n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe h ALA 46 N 2.13 0.02 0.00 0.00 0.00 -0.64 -2.94 119.26 117.83 2qbe h ALA 46 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2qbe h ALA 46 Cb 0.03 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qbe h ALA 46 CO 0.00 0.06 0.00 0.28 0.00 0.00 0.00 179.25 179.59 2qbe h VAL 47 N -1.00 0.00 0.00 0.00 2.07 -1.15 -2.78 116.25 113.39 2qbe h VAL 47 Ca -0.03 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2qbe h VAL 47 Cb 0.98 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2qbe h VAL 47 CO -0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.57 2qbe n GLN 48 N -2.50 0.00 0.00 1.57 1.13 -0.80 -2.35 117.38 114.43 2qbe n GLN 48 Ca 0.01 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 2qbe n GLN 48 Cb 0.24 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.57 2qbe n GLN 48 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2qbe n LYS 49 N -1.52 0.00 -1.05 -1.09 4.76 -1.11 -2.44 118.16 115.71 2qbe n LYS 49 Ca 0.00 0.26 -0.30 0.00 -2.87 0.00 0.00 58.31 55.41 2qbe n LYS 49 Cb 0.00 -1.02 0.16 0.00 -1.84 0.00 0.00 35.03 32.32 2qbe n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qbe s LEU 50 N -1.65 2.11 0.00 -0.35 2.01 -1.05 -2.91 118.68 116.85 2qbe s LEU 50 Ca 0.00 1.57 0.00 0.00 0.01 0.00 0.00 54.13 55.71 2qbe s LEU 50 Cb 0.00 -3.91 0.00 0.00 0.01 0.00 0.00 46.19 42.29 2qbe s LEU 50 CO 0.00 -2.93 0.00 0.49 1.01 0.00 0.00 176.35 174.92 2qbe n PHE 51 N -4.08 0.00 -3.14 0.29 0.99 -1.26 -4.31 117.46 105.95 2qbe n PHE 51 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.46 2qbe n PHE 51 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.03 2qbe n PHE 51 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2qbe n GLU 52 N 0.00 -1.57 -4.20 -1.08 1.02 -1.02 -5.03 120.64 108.75 2qbe n GLU 52 Ca 0.00 1.51 -0.12 0.00 -0.02 0.00 0.00 57.16 58.53 2qbe n GLU 52 Cb 0.00 -5.14 -0.10 0.00 -0.02 0.00 0.00 31.44 26.18 2qbe n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qbe s VAL 53 N -2.87 0.31 0.01 2.62 1.01 -0.99 -5.03 120.40 115.47 2qbe s VAL 53 Ca 0.06 -1.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.00 2qbe s VAL 53 Cb -0.01 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 2qbe s VAL 53 CO 0.78 -0.35 1.12 -0.33 0.00 0.00 0.00 175.10 176.31 2qbe h GLU 54 N 2.72 -0.31 -4.69 2.72 4.39 -1.88 -3.40 114.58 114.13 2qbe h GLU 54 Ca -0.36 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2qbe h GLU 54 Cb 1.21 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.88 2qbe h GLU 54 CO 0.60 -0.21 -1.06 0.28 -1.16 0.00 0.00 179.01 177.46 2qbe n VAL 55 N -2.87-10.73 0.00 3.13 0.31 -1.26 -4.77 118.33 102.15 2qbe n VAL 55 Ca -0.04 1.90 -0.00 0.00 -0.01 0.00 0.00 64.34 66.19 2qbe n VAL 55 Cb 0.13 -6.24 -0.00 0.00 -0.91 0.00 0.00 33.84 26.82 2qbe n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qbe h GLU 56 N 2.91 -0.00 0.00 5.55 4.81 -1.49 -3.43 114.58 122.93 2qbe h GLU 56 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2qbe h GLU 56 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2qbe h GLU 56 CO 0.05 -0.00 0.00 1.55 -0.73 0.00 0.00 179.01 179.87 2qbe n VAL 57 N -2.05 0.00 0.00 0.32 3.14 -1.21 -5.00 118.33 113.54 2qbe n VAL 57 Ca -0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2qbe n VAL 57 Cb 0.00 -0.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.48 2qbe n VAL 57 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2qbe n VAL 58 N 0.00 0.00 -4.15 1.55 3.14 -1.18 -4.43 118.33 113.26 2qbe n VAL 58 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 2qbe n VAL 58 Cb 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 32.62 2qbe n VAL 58 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2qbe s ASN 59 N 0.00 3.29 0.34 6.55 0.01 -0.66 -5.01 114.94 119.47 2qbe s ASN 59 Ca 0.00 -0.61 0.07 0.00 -0.71 0.00 0.00 52.86 51.61 2qbe s ASN 59 Cb 0.00 -1.51 -0.01 0.00 0.41 0.00 0.00 41.25 40.13 2qbe s ASN 59 CO 0.00 0.01 0.42 0.42 -1.51 0.00 0.00 177.10 176.43 2qbe s THR 60 N 1.26 3.80 -0.28 1.60 -4.23 -1.25 -4.08 115.64 112.46 2qbe s THR 60 Ca 0.04 -1.12 -0.22 0.00 -1.18 0.00 0.00 61.69 59.20 2qbe s THR 60 Cb -0.13 -3.30 0.11 0.00 1.34 0.00 0.00 72.50 70.51 2qbe s THR 60 CO -0.11 -0.15 0.89 -1.48 -0.54 0.00 0.00 174.62 173.24 2qbe s LEU 61 N -4.13 -0.61 0.30 4.79 0.05 -1.19 -4.92 118.68 112.98 2qbe s LEU 61 Ca 0.44 1.11 -0.18 0.00 0.05 0.00 0.00 54.13 55.55 2qbe s LEU 61 Cb -0.08 2.09 -0.09 0.00 -2.05 0.00 0.00 46.19 46.06 2qbe s LEU 61 CO 0.30 -0.19 0.77 -0.69 -0.55 0.00 0.00 176.35 175.99 2qbe s VAL 62 N 0.63 4.58 -0.24 1.48 1.01 -1.26 -0.31 120.40 126.29 2qbe s VAL 62 Ca -0.01 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.16 2qbe s VAL 62 Cb -0.05 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.67 2qbe s VAL 62 CO -0.07 -0.05 -0.13 -0.69 0.00 0.00 0.00 175.10 174.16 2qbe s VAL 63 N -1.83 2.09 0.00 2.92 1.01 0.12 -4.96 120.40 119.75 2qbe s VAL 63 Ca 0.51 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2qbe s VAL 63 Cb -0.13 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2qbe s VAL 63 CO 0.18 0.10 0.00 0.29 0.00 0.00 0.00 175.10 175.67 2qbe n LYS 64 N 4.49 0.00 0.00 2.72 4.01 -1.26 -2.72 118.16 125.40 2qbe n LYS 64 Ca -0.15 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 2qbe n LYS 64 Cb 0.44 -0.31 0.00 0.00 -0.51 0.00 0.00 35.03 34.65 2qbe n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qbe n GLY 65 N 0.00 3.53 3.31 0.72 0.00 -1.26 -3.12 105.19 108.36 2qbe n GLY 65 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 2qbe n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbe n LYS 66 N 0.00 -3.52 -3.65 1.61 4.76 -1.26 -4.40 118.16 111.70 2qbe n LYS 66 Ca 0.00 -1.03 -0.03 0.00 -2.87 0.00 0.00 58.31 54.38 2qbe n LYS 66 Cb 0.00 -1.97 -0.06 0.00 -1.84 0.00 0.00 35.03 31.17 2qbe n LYS 66 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qbe s VAL 67 N -2.23 -0.80 0.00 -0.18 0.11 -1.26 -0.81 120.40 115.23 2qbe s VAL 67 Ca 0.65 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 2qbe s VAL 67 Cb -0.17 -0.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 2qbe s VAL 67 CO 0.60 0.02 0.00 0.29 -3.33 0.00 0.00 175.10 172.67 2qbe n LYS 68 N 5.28 0.00 0.00 1.54 4.01 -0.79 -4.93 118.16 123.27 2qbe n LYS 68 Ca -0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 2qbe n LYS 68 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 2qbe n LYS 68 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2qbe n ARG 69 N 0.00 0.00 -2.59 1.97 3.00 -1.26 -3.53 116.66 114.25 2qbe n ARG 69 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 2qbe n ARG 69 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 2qbe n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2qbe s HIS 70 N -3.87 3.56 0.00 -0.14 -3.43 -1.26 -4.87 115.29 105.28 2qbe s HIS 70 Ca 0.00 0.90 0.00 0.00 -0.80 0.00 0.00 55.06 55.16 2qbe s HIS 70 Cb 0.00 -2.36 0.00 0.00 -1.43 0.00 0.00 32.58 28.79 2qbe s HIS 70 CO 0.00 -0.30 0.00 0.41 -2.00 0.00 0.00 174.74 172.85 2qbe n GLY 71 N -2.17 2.75 0.57 -1.38 0.00 -1.26 -2.35 105.19 101.35 2qbe n GLY 71 Ca 0.01 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.96 2qbe n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbe n GLN 72 N 14.00 1.77 -3.77 1.61 10.64 -1.26 -4.89 117.38 135.48 2qbe n GLN 72 Ca 0.00 -1.14 -0.28 0.00 -1.83 0.00 0.00 57.00 53.76 2qbe n GLN 72 Cb 0.00 -1.45 -0.03 0.00 -0.86 0.00 0.00 30.24 27.89 2qbe n GLN 72 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2qbe s ARG 73 N -1.92 3.50 0.19 2.61 1.81 -0.99 -5.11 118.95 119.04 2qbe s ARG 73 Ca 0.36 -0.39 0.10 0.00 -1.72 0.00 0.00 55.73 54.08 2qbe s ARG 73 Cb 0.20 -2.88 -0.04 0.00 -0.45 0.00 0.00 34.95 31.77 2qbe s ARG 73 CO 0.31 0.45 -0.17 -1.50 -0.68 0.00 0.00 175.30 173.71 2qbe s ILE 74 N -1.80 2.74 -0.20 1.52 1.10 -1.26 -4.08 121.20 119.22 2qbe s ILE 74 Ca 0.37 -1.89 -0.04 0.00 -0.51 0.00 0.00 60.65 58.58 2qbe s ILE 74 Cb -0.11 -2.34 0.08 0.00 0.15 0.00 0.00 42.46 40.24 2qbe s ILE 74 CO 0.29 -0.13 0.18 -0.83 -2.11 0.00 0.00 174.94 172.34 2qbe s GLY 75 N -2.80 0.10 0.21 1.50 0.00 -1.23 -4.91 107.32 100.19 2qbe s GLY 75 Ca 0.23 0.08 -0.01 0.00 0.00 0.00 0.00 44.72 45.03 2qbe s GLY 75 CO 0.13 2.04 0.40 0.50 0.00 0.00 0.00 173.10 176.16 2qbe s ARG 76 N 2.27 3.52 0.43 2.90 0.52 -1.26 -1.89 118.95 125.43 2qbe s ARG 76 Ca 0.06 -0.35 0.08 0.00 -0.52 0.00 0.00 55.73 55.00 2qbe s ARG 76 Cb -0.16 -2.83 0.01 0.00 0.52 0.00 0.00 34.95 32.49 2qbe s ARG 76 CO -0.12 0.39 0.57 1.03 0.02 0.00 0.00 175.30 177.19 2qbe s ARG 77 N -3.38 2.79 0.52 3.54 0.52 0.01 -4.98 118.95 117.97 2qbe s ARG 77 Ca 0.38 -1.27 -0.04 0.00 -0.52 0.00 0.00 55.73 54.28 2qbe s ARG 77 Cb -0.11 -2.73 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 2qbe s ARG 77 CO 0.29 -0.29 0.81 -1.12 0.02 0.00 0.00 175.30 175.01 2qbe s SER 78 N -4.35 5.86 0.60 0.23 0.01 -1.26 -4.72 113.70 110.07 2qbe s SER 78 Ca 0.55 0.67 0.04 0.00 1.31 0.00 0.00 55.95 58.52 2qbe s SER 78 Cb -0.09 -1.83 0.08 0.00 0.21 0.00 0.00 66.02 64.38 2qbe s SER 78 CO 0.33 -0.82 0.83 -1.81 0.41 0.00 0.00 173.24 172.17 2qbe s ASP 79 N -4.22 4.95 -0.14 2.44 -0.00 -1.18 -4.36 116.67 114.16 2qbe s ASP 79 Ca 0.50 -0.43 -0.31 0.00 -0.00 0.00 0.00 52.55 52.32 2qbe s ASP 79 Cb -0.10 -0.22 0.13 0.00 -0.00 0.00 0.00 42.92 42.73 2qbe s ASP 79 CO 0.43 -1.40 1.06 -1.66 -0.00 0.00 0.00 175.17 173.61 2qbe s TRP 80 N -2.81 -0.26 0.53 4.23 1.48 -1.10 -4.95 118.94 116.06 2qbe s TRP 80 Ca 0.61 0.29 -0.04 0.00 -1.06 0.00 0.00 56.10 55.90 2qbe s TRP 80 Cb -0.07 0.50 -0.00 0.00 -1.16 0.00 0.00 33.47 32.73 2qbe s TRP 80 CO 0.40 -0.33 0.82 0.15 -4.06 0.00 0.00 176.95 173.93 2qbe s LYS 81 N -2.09 3.10 -0.11 3.25 1.02 -1.23 0.13 119.74 123.82 2qbe s LYS 81 Ca 0.05 -0.06 0.03 0.00 0.02 0.00 0.00 55.97 56.00 2qbe s LYS 81 Cb -0.01 -2.36 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2qbe s LYS 81 CO -0.04 -0.48 -0.19 0.21 -0.92 0.00 0.00 175.35 173.92 2qbe s LYS 82 N -4.83 2.60 0.00 1.68 2.20 0.57 -3.32 119.74 118.63 2qbe s LYS 82 Ca 0.51 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 2qbe s LYS 82 Cb -0.10 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 2qbe s LYS 82 CO 0.43 0.04 0.20 0.00 -0.36 0.00 0.00 175.35 175.67 2qbe n ALA 83 N 3.89 0.00 -2.98 3.13 0.00 -0.74 -3.16 120.51 120.65 2qbe n ALA 83 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.12 2qbe n ALA 83 Cb 0.52 0.01 0.06 0.00 0.00 0.00 0.00 19.45 20.03 2qbe n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qbe n TYR 84 N -0.22 -2.13 0.19 0.00 4.02 -1.17 -3.82 117.16 114.04 2qbe n TYR 84 Ca 0.00 0.75 -0.12 0.00 -0.01 0.00 0.00 57.90 58.51 2qbe n TYR 84 Cb 0.00 -3.88 -0.07 0.00 -0.02 0.00 0.00 39.34 35.37 2qbe n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2qbe h VAL 85 N -0.85 0.46 -3.78 -0.72 2.07 -1.58 -1.75 116.25 110.09 2qbe h VAL 85 Ca -0.49 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.42 2qbe h VAL 85 Cb 1.25 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2qbe h VAL 85 CO 0.37 0.09 -0.70 0.35 0.02 0.00 0.00 177.57 177.69 2qbe n THR 86 N -5.16-10.30 -4.58 2.57 -2.24 -1.26 -3.11 114.28 90.20 2qbe n THR 86 Ca -0.09 2.35 -0.31 0.00 -2.27 0.00 0.00 64.05 63.72 2qbe n THR 86 Cb 0.28 -5.04 -0.12 0.00 -2.10 0.00 0.00 70.33 63.35 2qbe n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qbe s LEU 87 N -0.41 2.79 0.00 3.22 1.02 -1.26 -1.40 118.68 122.63 2qbe s LEU 87 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.81 2qbe s LEU 87 Cb 0.00 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.59 2qbe s LEU 87 CO 0.00 0.26 0.00 0.29 0.02 0.00 0.00 176.35 176.92 2qbe n LYS 88 N 1.51 0.00 0.00 1.70 4.76 -1.26 -4.62 118.16 120.25 2qbe n LYS 88 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2qbe n LYS 88 Cb 0.52 -0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 2qbe n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qbe n GLU 89 N 0.00 -0.65 0.00 1.97 -0.58 -1.26 -4.60 120.64 115.53 2qbe n GLU 89 Ca 0.00 -0.56 0.05 0.00 -0.42 0.00 0.00 57.16 56.24 2qbe n GLU 89 Cb 0.00 -0.98 0.25 0.00 -0.57 0.00 0.00 31.44 30.14 2qbe n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbe n GLY 90 N -0.04 -0.82 3.53 0.62 0.00 -1.26 -4.65 105.19 102.57 2qbe n GLY 90 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 2qbe n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qbe n GLN 91 N -1.44 0.40 0.00 1.61 6.02 -1.26 -4.51 117.38 118.19 2qbe n GLN 91 Ca 0.03 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 2qbe n GLN 91 Cb 0.12 -2.61 0.00 0.00 1.02 0.00 0.00 30.24 28.77 2qbe n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2qbe n ASN 92 N 13.43 0.00 -0.27 1.08 5.03 -1.26 -5.17 115.26 128.11 2qbe n ASN 92 Ca 0.54 0.00 0.03 0.00 0.87 0.00 0.00 54.58 56.02 2qbe n ASN 92 Cb 0.32 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.10 2qbe n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61