#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqj n SER 2 N 0.00 -1.01 -3.93 1.61 7.64 -1.26 -4.87 113.62 111.80 2gqj n SER 2 Ca 0.00 -0.98 -0.16 0.00 1.01 0.00 0.00 58.87 58.74 2gqj n SER 2 Cb 0.00 -1.25 -0.15 0.00 -1.01 0.00 0.00 64.21 61.80 2gqj n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2gqj s SER 3 N -3.02 0.54 -0.24 6.43 0.15 -1.26 -5.13 113.70 111.17 2gqj s SER 3 Ca 0.53 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 57.12 2gqj s SER 3 Cb -0.31 -0.11 0.06 0.00 -1.71 0.00 0.00 66.02 63.95 2gqj s SER 3 CO 0.80 0.03 -0.08 -0.83 1.20 0.00 0.00 173.24 174.36 2gqj s GLY 4 N 0.10 1.43 -0.61 9.45 0.00 -1.26 -5.07 107.32 111.36 2gqj s GLY 4 Ca -0.01 -1.49 -0.05 0.00 0.00 0.00 0.00 44.72 43.17 2gqj s GLY 4 CO -0.00 0.78 0.45 -0.56 0.00 0.00 0.00 173.10 173.77 2gqj s SER 5 N 1.28 5.53 -0.57 1.64 0.01 -1.26 -5.00 113.70 115.33 2gqj s SER 5 Ca -0.07 -2.62 0.04 0.00 1.31 0.00 0.00 55.95 54.62 2gqj s SER 5 Cb -0.19 -1.93 0.14 0.00 0.21 0.00 0.00 66.02 64.26 2gqj s SER 5 CO -0.06 -0.46 0.33 -0.44 0.41 0.00 0.00 173.24 173.02 2gqj s SER 6 N 1.30 4.41 0.00 2.44 0.01 -1.26 -4.88 113.70 115.72 2gqj s SER 6 Ca 0.15 -3.25 0.00 0.00 1.31 0.00 0.00 55.95 54.16 2gqj s SER 6 Cb -0.20 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2gqj s SER 6 CO -0.04 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2gqj n GLY 7 N 2.79 -1.84 0.25 3.44 0.00 -1.26 -5.05 105.19 103.53 2gqj n GLY 7 Ca 0.10 0.79 -0.11 0.00 0.00 0.00 0.00 46.02 46.79 2gqj n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqj h PRO 8 N 0.00 0.83 0.00 1.61 0.13 -2.04 -3.48 132.00 129.05 2gqj h PRO 8 Ca 0.00 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2gqj h PRO 8 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2gqj h PRO 8 CO 0.00 1.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 2gqj n GLY 9 N 0.09 1.27 2.74 1.56 0.00 -1.26 -4.90 105.19 104.70 2gqj n GLY 9 Ca -0.02 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 2gqj n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gqj n GLY 10 N 0.00 2.74 3.57 -0.02 0.00 -1.26 -5.01 105.19 105.20 2gqj n GLY 10 Ca 0.00 -2.26 -0.28 0.00 0.00 0.00 0.00 46.02 43.49 2gqj n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqj s PRO 11 N -3.65 2.52 -0.59 1.61 0.04 -1.26 -4.77 135.00 128.90 2gqj s PRO 11 Ca 0.25 -0.85 0.04 0.00 0.04 0.00 0.00 61.00 60.47 2gqj s PRO 11 Cb -0.02 -5.18 0.38 0.00 0.04 0.00 0.00 34.50 29.72 2gqj s PRO 11 CO 0.16 -3.75 1.25 0.39 0.04 0.00 0.00 177.00 175.08 2gqj n GLU 12 N 8.49 3.46 -0.07 4.56 1.02 -1.26 -4.78 120.64 132.06 2gqj n GLU 12 Ca 0.43 -4.50 -0.07 0.00 -0.02 0.00 0.00 57.16 53.00 2gqj n GLU 12 Cb 0.47 -2.27 -0.03 0.00 -0.02 0.00 0.00 31.44 29.59 2gqj n GLU 12 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2gqj h GLU 13 N 2.90 0.00 0.11 3.49 3.07 -2.00 -3.33 114.58 118.81 2gqj h GLU 13 Ca 0.30 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.88 2gqj h GLU 13 Cb 0.62 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.55 2gqj h GLU 13 CO 0.95 0.17 -1.21 0.37 -1.40 0.00 0.00 179.01 177.89 2gqj h GLN 14 N -1.00 0.52 -0.03 2.33 -0.00 -2.02 -3.19 115.11 111.72 2gqj h GLN 14 Ca -0.06 -0.71 0.01 0.00 -0.00 0.00 0.00 58.65 57.90 2gqj h GLN 14 Cb 0.60 0.24 -0.00 0.00 0.00 0.00 0.00 27.48 28.31 2gqj h GLN 14 CO -0.03 1.31 0.06 -1.49 0.00 0.00 0.00 178.83 178.67 2gqj h TRP 15 N 0.23 0.00 0.00 3.99 6.55 -1.86 -2.38 115.95 122.47 2gqj h TRP 15 Ca -0.16 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.68 2gqj h TRP 15 Cb 1.88 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.18 2gqj h TRP 15 CO 0.10 0.00 -0.00 0.37 -1.05 0.00 0.00 178.44 177.85 2gqj h GLN 16 N 0.00 -0.01 -1.85 0.49 5.75 -1.67 -2.05 115.11 115.77 2gqj h GLN 16 Ca 0.01 0.00 0.55 0.00 -0.15 0.00 0.00 58.65 59.07 2gqj h GLN 16 Cb 0.13 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.60 2gqj h GLN 16 CO -0.00 0.84 1.31 0.54 -2.65 0.00 0.00 178.83 178.87 2gqj n ARG 17 N -4.68 -0.01 -0.10 1.69 3.00 -0.90 -0.11 116.66 115.56 2gqj n ARG 17 Ca -0.09 1.10 -0.24 0.00 -0.01 0.00 0.00 57.85 58.61 2gqj n ARG 17 Cb 0.41 -2.47 -0.12 0.00 0.00 0.00 0.00 32.46 30.28 2gqj n ARG 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2gqj n ALA 18 N -2.84 1.03 -0.32 7.54 0.00 -1.23 -2.89 120.51 121.79 2gqj n ALA 18 Ca 0.43 -0.79 0.17 0.00 0.00 0.00 0.00 53.44 53.25 2gqj n ALA 18 Cb 1.92 -0.29 0.41 0.00 0.00 0.00 0.00 19.45 21.48 2gqj n ALA 18 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2gqj h ILE 19 N -0.66 0.65 0.09 0.00 2.04 0.24 0.37 117.51 120.24 2gqj h ILE 19 Ca -0.51 -0.20 -0.31 0.00 1.00 0.00 0.00 64.86 64.84 2gqj h ILE 19 Cb 1.63 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2gqj h ILE 19 CO -0.21 0.11 -1.61 1.12 0.00 0.00 0.00 178.15 177.56 2gqj h HIS 20 N 0.60 0.35 0.61 1.37 2.07 -0.97 -2.36 115.15 116.81 2gqj h HIS 20 Ca 0.57 -0.25 -0.03 0.00 -2.85 0.00 0.00 60.37 57.80 2gqj h HIS 20 Cb 1.12 -0.01 0.01 0.00 2.57 0.00 0.00 27.41 31.09 2gqj h HIS 20 CO -0.00 1.35 -0.29 0.93 -3.07 0.00 0.00 177.93 176.85 2gqj h GLU 21 N 0.05 -0.79 0.00 5.12 4.39 -1.00 -3.41 114.58 118.94 2gqj h GLU 21 Ca -0.27 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2gqj h GLU 21 Cb 2.01 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.83 2gqj h GLU 21 CO 0.13 -0.47 -0.55 0.54 -1.16 0.00 0.00 179.01 177.50 2gqj n ARG 22 N -5.37 0.32 0.00 2.33 5.12 0.12 -5.07 116.66 114.11 2gqj n ARG 22 Ca -0.12 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2gqj n ARG 22 Cb 0.35 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 2gqj n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2gqj n GLY 23 N 1.52 -0.31 3.40 -0.13 0.00 -0.89 -5.02 105.19 103.75 2gqj n GLY 23 Ca -0.08 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 2gqj n GLY 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gqj s GLU 24 N 0.00 1.20 -0.59 1.61 -1.05 -1.23 -4.51 118.70 114.13 2gqj s GLU 24 Ca 0.00 -0.88 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 2gqj s GLU 24 Cb 0.00 0.46 0.15 0.00 -0.44 0.00 0.00 34.13 34.30 2gqj s GLU 24 CO 0.00 -0.48 0.37 0.00 0.95 0.00 0.00 175.26 176.10 2gqj s ALA 25 N -3.87 3.48 1.01 -0.84 0.00 -1.26 -4.47 121.76 115.81 2gqj s ALA 25 Ca 0.08 -3.30 -0.12 0.00 0.00 0.00 0.00 51.96 48.63 2gqj s ALA 25 Cb 0.01 -2.44 0.20 0.00 0.00 0.00 0.00 23.12 20.89 2gqj s ALA 25 CO -0.06 -2.07 1.08 0.14 0.00 0.00 0.00 175.76 174.85 2gqj s VAL 26 N -0.24 2.24 -0.27 0.00 -7.23 -1.26 -4.77 120.40 108.87 2gqj s VAL 26 Ca 0.17 0.08 -0.39 0.00 -1.81 0.00 0.00 61.98 60.03 2gqj s VAL 26 Cb -0.22 -2.27 -0.15 0.00 0.56 0.00 0.00 36.38 34.30 2gqj s VAL 26 CO -0.02 -0.10 1.80 0.00 -0.31 0.00 0.00 175.10 176.47 2gqj n PRO 28 N 5.75 0.49 -0.00 0.00 -0.04 -1.26 0.01 135.00 139.94 2gqj n PRO 28 Ca 0.28 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.72 2gqj n PRO 28 Cb 0.15 -1.08 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 2gqj n PRO 28 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2gqj n THR 29 N -0.58 0.61 0.07 0.52 -1.04 -1.26 -4.86 114.28 107.74 2gqj n THR 29 Ca 0.02 0.24 0.09 0.00 -2.04 0.00 0.00 64.05 62.36 2gqj n THR 29 Cb 0.01 -1.51 -0.13 0.00 -1.82 0.00 0.00 70.33 66.87 2gqj n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gqj n ASN 31 N -2.05 -4.11 -3.53 0.00 3.02 0.10 -4.77 115.26 103.93 2gqj n ASN 31 Ca -0.03 -0.24 -0.21 0.00 -0.03 0.00 0.00 54.58 54.07 2gqj n ASN 31 Cb 0.44 -2.75 -0.14 0.00 -0.61 0.00 0.00 39.78 36.72 2gqj n ASN 31 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2gqj s VAL 32 N -3.08 -0.23 0.17 2.41 -7.23 -1.26 -4.68 120.40 106.49 2gqj s VAL 32 Ca 0.26 -0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.12 2gqj s VAL 32 Cb -0.11 -0.69 0.04 0.00 0.56 0.00 0.00 36.38 36.18 2gqj s VAL 32 CO 0.32 -0.28 0.55 1.33 -0.31 0.00 0.00 175.10 176.70 2gqj n VAL 33 N 5.30 0.00 -0.97 1.32 0.24 -1.26 -4.73 118.33 118.22 2gqj n VAL 33 Ca -0.06 -0.45 -0.33 0.00 -2.04 0.00 0.00 64.34 61.46 2gqj n VAL 33 Cb 0.49 0.52 0.02 0.00 -1.47 0.00 0.00 33.84 33.40 2gqj n VAL 33 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2gqj n THR 34 N -0.38 0.00 -0.36 3.34 -1.04 -1.26 -4.72 114.28 109.86 2gqj n THR 34 Ca -0.03 -0.44 -0.01 0.00 -2.04 0.00 0.00 64.05 61.53 2gqj n THR 34 Cb 0.35 0.00 0.14 0.00 -1.82 0.00 0.00 70.33 69.00 2gqj n THR 34 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 2gqj h ARG 35 N -0.53 1.26 0.00 -2.82 0.11 -2.01 -1.31 114.38 109.08 2gqj h ARG 35 Ca -0.38 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2gqj h ARG 35 Cb 1.20 -0.28 0.00 0.00 1.11 0.00 0.00 29.97 32.00 2gqj h ARG 35 CO 0.27 0.84 -0.28 0.87 0.10 0.00 0.00 179.97 181.77 2gqj h LYS 36 N 1.30 0.00 -6.21 0.08 1.57 -1.99 -3.48 116.57 107.84 2gqj h LYS 36 Ca 0.37 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.70 2gqj h LYS 36 Cb -0.09 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.05 2gqj h LYS 36 CO -0.10 0.00 -0.68 0.25 -0.57 0.00 0.00 179.45 178.35 2gqj n THR 37 N -2.31 -0.80 -0.00 -0.16 -2.24 -0.50 -4.51 114.28 103.77 2gqj n THR 37 Ca 0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.81 2gqj n THR 37 Cb 0.45 -1.45 -0.00 0.00 -2.10 0.00 0.00 70.33 67.23 2gqj n THR 37 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2gqj n LEU 38 N -3.96 0.41 -0.02 3.22 -0.00 -1.26 -4.52 117.00 110.87 2gqj n LEU 38 Ca 0.05 0.06 -0.16 0.00 -0.00 0.00 0.00 56.01 55.95 2gqj n LEU 38 Cb 0.50 -0.29 -0.10 0.00 -0.00 0.00 0.00 43.42 43.54 2gqj n LEU 38 CO 0.68 -0.52 0.34 -0.37 -0.00 0.00 0.00 177.39 177.53 2gqj h VAL 39 N -0.11 1.41 0.00 1.96 -1.51 -1.99 -3.14 116.25 112.87 2gqj h VAL 39 Ca 0.00 -1.90 0.00 0.00 -1.23 0.00 0.00 66.70 63.57 2gqj h VAL 39 Cb 0.11 2.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2gqj h VAL 39 CO 0.00 0.56 0.00 0.61 -1.23 0.00 0.00 177.57 177.51 2gqj n GLY 40 N 0.85 0.22 0.10 5.19 0.00 -1.26 -3.20 105.19 107.09 2gqj n GLY 40 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2gqj n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gqj n LEU 41 N -0.24 0.94 0.04 0.99 7.94 -1.18 -3.53 117.00 121.95 2gqj n LEU 41 Ca 0.00 0.11 -0.22 0.00 -1.11 0.00 0.00 56.01 54.79 2gqj n LEU 41 Cb 0.12 0.05 -0.14 0.00 0.53 0.00 0.00 43.42 43.97 2gqj n LEU 41 CO 0.00 0.57 -0.68 0.11 -1.11 0.00 0.00 177.39 176.28 2gqj h LYS 42 N 0.01 0.32 0.00 1.96 6.56 -1.69 -2.87 116.57 120.86 2gqj h LYS 42 Ca -0.47 -0.55 0.00 0.00 -1.06 0.00 0.00 60.65 58.57 2gqj h LYS 42 Cb 2.11 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 33.98 2gqj h LYS 42 CO 0.03 1.26 0.00 1.63 -2.06 0.00 0.00 179.45 180.31 2gqj n LYS 43 N -3.53 0.12 -0.08 3.15 5.02 -1.23 -2.89 118.16 118.73 2gqj n LYS 43 Ca -0.28 0.20 -0.22 0.00 -2.02 0.00 0.00 58.31 55.98 2gqj n LYS 43 Cb 1.06 -1.67 -0.12 0.00 -0.02 0.00 0.00 35.03 34.28 2gqj n LYS 43 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2gqj n HIS 44 N -1.89 0.66 -0.13 2.13 -0.00 -1.23 -4.31 115.22 110.44 2gqj n HIS 44 Ca 0.05 0.18 0.01 0.00 0.46 0.00 0.00 57.72 58.43 2gqj n HIS 44 Cb 0.32 -1.08 0.30 0.00 -0.12 0.00 0.00 29.99 29.41 2gqj n HIS 44 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2gqj h MET 45 N -0.34 0.81 -0.71 1.57 -0.00 -1.54 0.36 114.93 115.08 2gqj h MET 45 Ca -0.50 -0.07 0.16 0.00 -0.00 0.00 0.00 59.70 59.29 2gqj h MET 45 Cb 1.78 -0.17 -0.13 0.00 -0.00 0.00 0.00 31.60 33.08 2gqj h MET 45 CO -0.11 0.57 -0.03 1.05 -0.00 0.00 0.00 176.91 178.39 2gqj h GLU 46 N 0.83 0.08 0.03 -0.10 4.11 -1.72 -2.18 114.58 115.62 2gqj h GLU 46 Ca 0.22 -0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.32 2gqj h GLU 46 Cb -0.04 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 2gqj h GLU 46 CO -0.04 0.05 -1.90 1.33 0.07 0.00 0.00 179.01 178.52 2gqj n VAL 47 N -5.36 1.61 -0.40 -1.06 0.24 -1.01 -4.40 118.33 107.94 2gqj n VAL 47 Ca 0.12 -0.77 -0.09 0.00 -2.04 0.00 0.00 64.34 61.56 2gqj n VAL 47 Cb 0.42 -1.12 -0.08 0.00 -1.47 0.00 0.00 33.84 31.60 2gqj n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gqj h GLN 49 N 0.00 0.04 -0.35 0.00 4.20 -1.70 0.61 115.11 117.91 2gqj h GLN 49 Ca 0.18 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2gqj h GLN 49 Cb 0.42 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2gqj h GLN 49 CO -0.92 0.03 0.19 0.87 -0.67 0.00 0.00 178.83 178.33 2gqj h LYS 50 N 0.04 0.49 0.20 1.46 1.57 -0.26 -2.71 116.57 117.36 2gqj h LYS 50 Ca 0.58 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.29 2gqj h LYS 50 Cb 1.18 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2gqj h LYS 50 CO -0.85 0.41 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.28 2gqj h LEU 51 N 0.44 -0.22 -0.70 2.94 3.38 0.83 -3.19 115.31 118.79 2gqj h LEU 51 Ca 0.12 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.39 2gqj h LEU 51 Cb 0.07 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 2gqj h LEU 51 CO -0.02 -0.10 0.36 0.00 0.09 0.00 0.00 178.44 178.77 2gqj n GLN 52 N -3.02 -0.04 -0.15 1.13 10.64 0.11 0.18 117.38 126.22 2gqj n GLN 52 Ca -0.03 0.97 -0.03 0.00 -1.83 0.00 0.00 57.00 56.08 2gqj n GLN 52 Cb 0.10 -1.73 0.04 0.00 -0.86 0.00 0.00 30.24 27.79 2gqj n GLN 52 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2gqj h ASP 53 N 0.00 -0.34 -0.78 2.61 3.58 -1.46 -0.56 116.42 119.47 2gqj h ASP 53 Ca 0.59 0.13 0.14 0.00 0.42 0.00 0.00 57.03 58.31 2gqj h ASP 53 Cb 1.55 0.26 -0.09 0.00 1.72 0.00 0.00 39.33 42.76 2gqj h ASP 53 CO -0.54 -0.12 0.35 0.00 -2.88 0.00 0.00 179.24 176.05 2gqj h ALA 54 N 1.46 1.13 -0.69 -0.78 0.00 0.17 -0.53 119.26 120.02 2gqj h ALA 54 Ca 0.24 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2gqj h ALA 54 Cb 0.36 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2gqj h ALA 54 CO -0.45 -0.15 0.16 -0.07 0.00 0.00 0.00 179.25 178.73 2gqj h LEU 55 N 0.52 1.04 -8.83 0.00 3.38 -1.15 -3.43 115.31 106.85 2gqj h LEU 55 Ca 0.42 -0.22 -0.74 0.00 0.09 0.00 0.00 57.88 57.44 2gqj h LEU 55 Cb 0.61 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2gqj h LEU 55 CO -0.37 1.00 1.08 1.17 0.09 0.00 0.00 178.44 181.40 2gqj n LYS 56 N -4.23 0.89 -0.52 1.13 4.81 -0.21 -4.79 118.16 115.24 2gqj n LYS 56 Ca 0.05 0.30 -0.23 0.00 -0.87 0.00 0.00 58.31 57.56 2gqj n LYS 56 Cb 0.26 -2.06 0.17 0.00 0.02 0.00 0.00 35.03 33.42 2gqj n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gqj n GLN 58 N -2.38 2.59 0.05 0.00 7.27 -1.26 -4.03 117.38 119.62 2gqj n GLN 58 Ca 0.06 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.94 2gqj n GLN 58 Cb 0.45 -0.82 -0.09 0.00 2.41 0.00 0.00 30.24 32.18 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2gqj h HIS 59 N 0.00 0.92 0.00 3.69 3.86 -2.01 -3.36 115.15 118.26 2gqj h HIS 59 Ca 0.00 -0.51 -0.08 0.00 -1.16 0.00 0.00 60.37 58.62 2gqj h HIS 59 Cb 0.65 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2gqj h HIS 59 CO 0.00 1.34 -1.63 0.00 0.86 0.00 0.00 177.93 178.50 2gqj n ARG 61 N -2.11 -5.57 -4.75 0.00 5.12 -1.26 -5.02 116.66 103.08 2gqj n ARG 61 Ca -0.08 0.72 -0.33 0.00 -1.93 0.00 0.00 57.85 56.23 2gqj n ARG 61 Cb 0.52 -5.35 -0.15 0.00 -1.16 0.00 0.00 32.46 26.32 2gqj n ARG 61 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2gqj s LYS 62 N -5.14 3.21 0.21 5.56 2.20 -1.26 -4.90 119.74 119.61 2gqj s LYS 62 Ca 0.00 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 54.55 2gqj s LYS 62 Cb -0.00 -2.54 -0.09 0.00 -1.51 0.00 0.00 37.83 33.69 2gqj s LYS 62 CO 0.62 0.10 1.23 -1.14 -0.36 0.00 0.00 175.35 175.80 2gqj s GLN 63 N 0.59 4.47 -0.17 4.03 -0.44 -1.26 -3.27 119.66 123.61 2gqj s GLN 63 Ca -0.10 1.94 0.01 0.00 -2.50 0.00 0.00 55.36 54.71 2gqj s GLN 63 Cb -0.16 -3.21 0.03 0.00 -1.64 0.00 0.00 33.01 28.03 2gqj s GLN 63 CO 0.03 -0.11 -0.13 -0.06 0.50 0.00 0.00 175.29 175.52 2gqj s PHE 64 N -0.19 2.32 0.00 1.67 0.40 -1.26 -5.01 117.98 115.92 2gqj s PHE 64 Ca 0.53 -1.41 -0.02 0.00 -0.60 0.00 0.00 56.93 55.42 2gqj s PHE 64 Cb -0.34 -1.64 -0.10 0.00 0.51 0.00 0.00 43.02 41.45 2gqj s PHE 64 CO 0.39 -0.71 2.48 0.36 0.70 0.00 0.00 175.22 178.43 2gqj n LYS 65 N 4.72 1.30 -3.63 0.44 2.85 -1.26 -4.73 118.16 117.85 2gqj n LYS 65 Ca -0.16 -0.37 -0.05 0.00 -1.05 0.00 0.00 58.31 56.68 2gqj n LYS 65 Cb 0.48 -1.41 -0.05 0.00 -0.65 0.00 0.00 35.03 33.41 2gqj n LYS 65 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2gqj s SER 66 N 2.03 -0.16 -0.11 -5.58 0.15 -1.26 -4.75 113.70 104.01 2gqj s SER 66 Ca 0.25 0.21 -0.15 0.00 0.70 0.00 0.00 55.95 56.96 2gqj s SER 66 Cb 0.12 0.18 -0.26 0.00 -1.71 0.00 0.00 66.02 64.35 2gqj s SER 66 CO 0.00 -0.12 0.52 0.50 1.20 0.00 0.00 173.24 175.34 2gqj h LYS 67 N 2.57 0.23 -0.57 5.44 3.11 -1.98 -3.26 116.57 122.11 2gqj h LYS 67 Ca -0.16 -0.39 -0.06 0.00 -2.81 0.00 0.00 60.65 57.24 2gqj h LYS 67 Cb 1.18 0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 32.53 2gqj h LYS 67 CO 0.23 1.19 0.12 0.00 -2.81 0.00 0.00 179.45 178.17 2gqj h ALA 68 N -0.07 1.14 -0.53 5.00 0.00 -1.99 -2.93 119.26 119.87 2gqj h ALA 68 Ca -0.32 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 2gqj h ALA 68 Cb 1.75 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2gqj h ALA 68 CO 0.04 0.58 0.14 0.78 0.00 0.00 0.00 179.25 180.79 2gqj h GLY 69 N 1.00 0.91 0.67 0.00 0.00 -1.97 -2.88 103.07 100.80 2gqj h GLY 69 Ca 0.18 -0.56 0.08 0.00 0.00 0.00 0.00 47.33 47.03 2gqj h GLY 69 CO 0.00 0.52 0.60 -2.00 0.00 0.00 0.00 176.54 175.66 2gqj h LEU 70 N 0.75 0.94 -0.14 3.11 5.85 -1.56 0.15 115.31 124.41 2gqj h LEU 70 Ca 0.17 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2gqj h LEU 70 Cb 0.32 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2gqj h LEU 70 CO -0.00 0.58 0.04 0.78 -0.34 0.00 0.00 178.44 179.50 2gqj h ASN 71 N 1.06 0.03 -0.62 1.25 2.35 -1.40 0.29 115.58 118.54 2gqj h ASN 71 Ca 0.42 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 56.11 2gqj h ASN 71 Cb 0.23 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2gqj h ASN 71 CO -0.19 0.04 0.06 0.22 -1.65 0.00 0.00 177.43 175.91 2gqj h TYR 72 N 0.11 1.14 0.68 1.19 3.20 -1.29 -3.11 116.97 118.89 2gqj h TYR 72 Ca 0.06 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 2gqj h TYR 72 Cb 0.04 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.01 2gqj h TYR 72 CO -0.12 0.98 -0.33 1.25 -1.64 0.00 0.00 178.16 178.31 2gqj h HIS 73 N 0.99 -0.85 -0.81 -3.82 2.76 -0.62 0.48 115.15 113.29 2gqj h HIS 73 Ca 0.19 -0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.48 2gqj h HIS 73 Cb 0.49 0.28 -0.14 0.00 1.55 0.00 0.00 27.41 29.58 2gqj h HIS 73 CO 0.03 -0.53 -0.24 2.41 -1.30 0.00 0.00 177.93 178.31 2gqj n THR 74 N -5.18 -0.37 -0.00 6.26 -1.04 0.98 -0.11 114.28 114.82 2gqj n THR 74 Ca -0.11 1.86 -0.17 0.00 -2.04 0.00 0.00 64.05 63.59 2gqj n THR 74 Cb 0.36 -2.53 -0.12 0.00 -1.82 0.00 0.00 70.33 66.22 2gqj n THR 74 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2gqj h MET 75 N 0.00 0.28 -1.29 -2.82 -1.53 -1.55 1.96 114.93 109.98 2gqj h MET 75 Ca 0.35 -0.34 0.37 0.00 -3.44 0.00 0.00 59.70 56.64 2gqj h MET 75 Cb 0.55 0.11 -0.07 0.00 -0.55 0.00 0.00 31.60 31.64 2gqj h MET 75 CO -0.82 1.07 0.90 0.00 0.14 0.00 0.00 176.91 178.20 2gqj h ALA 76 N 0.22 3.04 0.00 0.39 0.00 0.35 -3.24 119.26 120.03 2gqj h ALA 76 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2gqj h ALA 76 Cb 1.26 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2gqj h ALA 76 CO 0.10 -1.45 -0.61 0.39 0.00 0.00 0.00 179.25 177.68 2gqj n GLU 77 N -4.27 0.05 -3.06 0.00 -0.58 0.38 -4.92 120.64 108.23 2gqj n GLU 77 Ca 0.29 0.02 -0.45 0.00 -0.42 0.00 0.00 57.16 56.60 2gqj n GLU 77 Cb 1.31 -0.58 -0.02 0.00 -0.57 0.00 0.00 31.44 31.58 2gqj n GLU 77 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2gqj s HIS 78 N -2.06 3.37 0.19 -0.32 3.76 0.67 -4.98 115.29 115.91 2gqj s HIS 78 Ca -0.03 -1.65 -0.01 0.00 -0.15 0.00 0.00 55.06 53.22 2gqj s HIS 78 Cb 0.01 -4.13 -0.04 0.00 1.11 0.00 0.00 32.58 29.53 2gqj s HIS 78 CO 0.04 -1.32 0.12 -1.54 -0.85 0.00 0.00 174.74 171.19 2gqj s SER 79 N 3.08 0.17 -0.82 1.40 1.04 -1.23 -3.49 113.70 113.85 2gqj s SER 79 Ca 0.29 -1.36 -0.23 0.00 0.48 0.00 0.00 55.95 55.13 2gqj s SER 79 Cb -0.06 0.37 -0.18 0.00 0.10 0.00 0.00 66.02 66.24 2gqj s SER 79 CO -0.09 -0.82 2.37 0.00 0.98 0.00 0.00 173.24 175.68 2gqj n ALA 80 N -0.24 0.54 -1.72 5.32 0.00 -1.26 -4.90 120.51 118.24 2gqj n ALA 80 Ca 0.01 -1.21 -0.33 0.00 0.00 0.00 0.00 53.44 51.91 2gqj n ALA 80 Cb 0.66 -3.07 -0.00 0.00 0.00 0.00 0.00 19.45 17.03 2gqj n ALA 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2gqj s LYS 81 N 8.48 3.51 0.17 0.00 -2.85 -1.26 -5.06 119.74 122.72 2gqj s LYS 81 Ca 1.03 1.15 -0.03 0.00 -1.00 0.00 0.00 55.97 57.12 2gqj s LYS 81 Cb -0.32 -2.06 0.04 0.00 -2.06 0.00 0.00 37.83 33.43 2gqj s LYS 81 CO 0.21 -0.65 0.15 -0.35 0.10 0.00 0.00 175.35 174.81 2gqj n PRO 82 N -1.84 -1.32 -1.07 1.78 -0.04 -1.26 -4.82 135.00 126.44 2gqj n PRO 82 Ca 0.08 -0.24 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 2gqj n PRO 82 Cb 0.53 -0.22 -0.06 0.00 -0.04 0.00 0.00 33.50 33.71 2gqj n PRO 82 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gqj n SER 83 N -3.26 0.46 -3.55 3.54 7.64 -1.26 -4.88 113.62 112.31 2gqj n SER 83 Ca 0.02 0.76 -0.01 0.00 1.01 0.00 0.00 58.87 60.65 2gqj n SER 83 Cb 0.08 -0.58 0.01 0.00 -1.01 0.00 0.00 64.21 62.71 2gqj n SER 83 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2gqj s ASP 84 N 1.15 -0.02 -0.49 6.43 -4.77 -1.26 -5.11 116.67 112.60 2gqj s ASP 84 Ca 0.64 -0.47 -0.45 0.00 -3.30 0.00 0.00 52.55 48.98 2gqj s ASP 84 Cb -0.91 0.37 -0.19 0.00 -1.09 0.00 0.00 42.92 41.10 2gqj s ASP 84 CO 0.46 -0.73 1.73 0.00 0.70 0.00 0.00 175.17 177.33 2gqj n ALA 85 N -0.69 -0.80 -1.53 2.11 0.00 -1.26 -4.64 120.51 113.69 2gqj n ALA 85 Ca -0.02 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 2gqj n ALA 85 Cb 0.60 -1.92 -0.09 0.00 0.00 0.00 0.00 19.45 18.04 2gqj n ALA 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2gqj n GLU 86 N 5.04 0.56 -3.65 0.00 4.71 -1.26 -4.80 120.64 121.24 2gqj n GLU 86 Ca 0.38 -0.13 -0.04 0.00 -0.01 0.00 0.00 57.16 57.36 2gqj n GLU 86 Cb -0.05 -2.68 -0.07 0.00 -1.01 0.00 0.00 31.44 27.63 2gqj n GLU 86 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2gqj s ALA 87 N 10.53 -2.23 -0.01 0.62 0.00 -1.26 -5.19 121.76 124.22 2gqj s ALA 87 Ca 1.12 1.86 -0.30 0.00 0.00 0.00 0.00 51.96 54.64 2gqj s ALA 87 Cb -0.55 -1.71 0.11 0.00 0.00 0.00 0.00 23.12 20.97 2gqj s ALA 87 CO 0.33 -0.21 1.21 -1.54 0.00 0.00 0.00 175.76 175.56 2gqj s SER 88 N 0.43 -0.10 -0.05 0.00 1.04 -1.26 -5.11 113.70 108.65 2gqj s SER 88 Ca 0.01 -0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.28 2gqj s SER 88 Cb -0.04 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.32 2gqj s SER 88 CO -0.12 -0.40 -0.01 -1.83 0.98 0.00 0.00 173.24 171.86 2gqj s GLU 89 N -2.59 0.58 6.14 4.02 4.04 -1.26 -5.07 118.70 124.57 2gqj s GLU 89 Ca 0.13 0.03 0.00 0.00 0.04 0.00 0.00 54.97 55.17 2gqj s GLU 89 Cb 0.03 -0.77 0.00 0.00 0.02 0.00 0.00 34.13 33.41 2gqj s GLU 89 CO -0.03 -0.18 0.00 0.41 -1.84 0.00 0.00 175.26 173.62 2gqj n GLY 90 N 4.47 0.94 3.64 -3.83 0.00 -1.26 -4.89 105.19 104.26 2gqj n GLY 90 Ca -0.19 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 2gqj n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gqj s GLY 91 N -0.03 0.15 0.52 -0.02 0.00 -1.26 -5.18 107.32 101.51 2gqj s GLY 91 Ca 0.00 3.19 0.03 0.00 0.00 0.00 0.00 44.72 47.94 2gqj s GLY 91 CO 0.00 1.90 0.72 -0.54 0.00 0.00 0.00 173.10 175.19 2gqj s GLU 92 N 0.11 2.58 0.00 2.90 8.01 -1.26 -5.05 118.70 126.00 2gqj s GLU 92 Ca 0.06 -0.96 0.00 0.00 0.01 0.00 0.00 54.97 54.08 2gqj s GLU 92 Cb -0.05 -2.57 0.00 0.00 -4.31 0.00 0.00 34.13 27.20 2gqj s GLU 92 CO -0.12 -0.62 0.00 -1.13 0.01 0.00 0.00 175.26 173.40 2gqj n SER 93 N -2.22 2.94 0.00 -0.19 3.41 -1.26 -5.15 113.62 111.15 2gqj n SER 93 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2gqj n SER 93 Cb 0.60 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 2gqj n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gqj n GLY 94 N 2.69 4.15 0.51 5.00 0.00 -1.26 -5.14 105.19 111.14 2gqj n GLY 94 Ca 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 2gqj n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gqj n PRO 95 N -1.61 -1.34 -4.41 1.61 -0.04 -1.26 -5.10 135.00 122.86 2gqj n PRO 95 Ca 0.00 -0.25 -0.21 0.00 -0.04 0.00 0.00 63.50 62.99 2gqj n PRO 95 Cb 0.00 -0.24 -0.09 0.00 -0.04 0.00 0.00 33.50 33.13 2gqj n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2gqj s SER 96 N -1.94 2.04 0.42 3.54 0.01 -1.26 -5.18 113.70 111.32 2gqj s SER 96 Ca 0.10 -1.56 0.06 0.00 1.31 0.00 0.00 55.95 55.86 2gqj s SER 96 Cb -0.01 0.35 -0.07 0.00 0.21 0.00 0.00 66.02 66.50 2gqj s SER 96 CO 0.08 -0.86 0.02 -0.55 0.41 0.00 0.00 173.24 172.34 2gqj s SER 97 N -3.46 3.76 0.00 2.44 0.15 -1.26 -5.31 113.70 110.01 2gqj s SER 97 Ca 0.32 -1.41 0.00 0.00 0.70 0.00 0.00 55.95 55.56 2gqj s SER 97 Cb 0.05 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 2gqj s SER 97 CO 0.16 -0.53 0.06 0.61 1.20 0.00 0.00 173.24 174.75