#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqj s SER 2 N 0.00 6.96 -0.25 1.61 1.04 -1.26 -5.05 113.70 116.75 2gqj s SER 2 Ca 0.00 1.25 -0.20 0.00 0.48 0.00 0.00 55.95 57.48 2gqj s SER 2 Cb 0.00 -2.35 -0.02 0.00 0.10 0.00 0.00 66.02 63.74 2gqj s SER 2 CO 0.00 0.10 0.60 -0.44 0.98 0.00 0.00 173.24 174.48 2gqj s SER 3 N -1.60 6.56 0.09 7.02 0.01 -1.26 -5.02 113.70 119.50 2gqj s SER 3 Ca 0.39 0.68 -0.27 0.00 1.31 0.00 0.00 55.95 58.06 2gqj s SER 3 Cb -0.16 -2.33 0.08 0.00 0.21 0.00 0.00 66.02 63.82 2gqj s SER 3 CO 0.20 -0.34 1.03 -0.83 0.41 0.00 0.00 173.24 173.71 2gqj s GLY 4 N 1.45 -0.30 0.69 3.44 0.00 -1.26 -5.15 107.32 106.19 2gqj s GLY 4 Ca 0.25 0.38 -0.16 0.00 0.00 0.00 0.00 44.72 45.19 2gqj s GLY 4 CO 0.09 0.08 0.89 1.44 0.00 0.00 0.00 173.10 175.60 2gqj n SER 5 N -0.44 0.26 -4.56 1.64 7.64 -1.26 -4.86 113.62 112.04 2gqj n SER 5 Ca -0.07 0.69 -0.41 0.00 1.01 0.00 0.00 58.87 60.09 2gqj n SER 5 Cb 0.61 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.41 2gqj n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2gqj s SER 6 N -1.52 6.49 -0.11 6.43 0.15 -1.26 -4.54 113.70 119.35 2gqj s SER 6 Ca 0.73 -1.43 -0.08 0.00 0.70 0.00 0.00 55.95 55.87 2gqj s SER 6 Cb -0.36 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.41 2gqj s SER 6 CO 0.51 -1.51 0.15 0.61 1.20 0.00 0.00 173.24 174.20 2gqj n GLY 7 N 6.83 -4.37 3.63 9.45 0.00 -1.26 -4.89 105.19 114.58 2gqj n GLY 7 Ca 0.32 0.94 -0.43 0.00 0.00 0.00 0.00 46.02 46.85 2gqj n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqj s PRO 8 N -0.81 3.80 -1.53 1.61 0.04 -1.26 -4.91 135.00 131.94 2gqj s PRO 8 Ca -0.18 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 2gqj s PRO 8 Cb 0.01 -4.03 -0.01 0.00 0.04 0.00 0.00 34.50 30.51 2gqj s PRO 8 CO 0.47 -1.29 2.56 0.41 0.04 0.00 0.00 177.00 179.20 2gqj n GLY 9 N 4.65 4.39 2.69 0.56 0.00 -1.26 -4.90 105.19 111.31 2gqj n GLY 9 Ca 0.19 -1.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 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 3.71 2.90 3.57 -0.02 0.00 -1.26 -5.02 105.19 109.08 2gqj n GLY 10 Ca 0.64 -2.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.57 2.52 -0.32 1.61 0.04 -1.26 -4.71 135.00 129.30 2gqj s PRO 11 Ca 0.20 -0.87 0.07 0.00 0.04 0.00 0.00 61.00 60.44 2gqj s PRO 11 Cb -0.02 -5.18 0.46 0.00 0.04 0.00 0.00 34.50 29.80 2gqj s PRO 11 CO 0.13 -3.77 1.31 0.39 0.04 0.00 0.00 177.00 175.09 2gqj n GLU 12 N 8.48 3.15 -0.04 4.56 1.02 -1.26 -4.71 120.64 131.84 2gqj n GLU 12 Ca 0.43 -3.90 -0.02 0.00 -0.02 0.00 0.00 57.16 53.65 2gqj n GLU 12 Cb 0.47 -2.17 -0.01 0.00 -0.02 0.00 0.00 31.44 29.71 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 1.94 0.00 -0.07 3.49 5.08 -1.98 -3.22 114.58 119.82 2gqj h GLU 13 Ca 0.34 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 2gqj h GLU 13 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2gqj h GLU 13 CO 0.74 0.00 -0.14 1.96 -1.00 0.00 0.00 179.01 180.57 2gqj h GLN 14 N -0.66 0.22 -0.77 2.33 7.50 -2.00 -2.08 115.11 119.65 2gqj h GLN 14 Ca 0.00 -0.14 0.07 0.00 0.50 0.00 0.00 58.65 59.08 2gqj h GLN 14 Cb 0.22 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 27.71 2gqj h GLN 14 CO 0.00 0.72 0.45 -1.49 -1.50 0.00 0.00 178.83 177.01 2gqj h TRP 15 N -0.26 0.82 -0.34 2.96 6.55 -1.84 -1.68 115.95 122.17 2gqj h TRP 15 Ca 0.00 0.03 -0.11 0.00 0.95 0.00 0.00 58.89 59.76 2gqj h TRP 15 Cb 0.72 -0.26 -0.01 0.00 -0.86 0.00 0.00 29.16 28.75 2gqj h TRP 15 CO 0.11 0.39 -0.26 0.37 -1.05 0.00 0.00 178.44 178.00 2gqj h GLN 16 N 0.81 0.68 -0.85 0.49 5.75 -1.58 -0.86 115.11 119.56 2gqj h GLN 16 Ca 0.35 -0.29 0.20 0.00 -0.15 0.00 0.00 58.65 58.76 2gqj h GLN 16 Cb 0.22 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.69 2gqj h GLN 16 CO -0.19 0.88 0.57 0.00 -2.65 0.00 0.00 178.83 177.43 2gqj h ARG 17 N 0.59 0.32 0.10 1.69 3.08 -0.57 -0.29 114.38 119.30 2gqj h ARG 17 Ca 0.08 -0.02 -0.37 0.00 0.07 0.00 0.00 59.98 59.74 2gqj h ARG 17 Cb 0.75 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 2gqj h ARG 17 CO 0.06 0.21 -2.11 0.00 -1.07 0.00 0.00 179.97 177.07 2gqj n ALA 18 N -2.55 1.02 -0.30 0.04 0.00 -1.08 -2.79 120.51 114.84 2gqj n ALA 18 Ca 0.18 -0.71 0.10 0.00 0.00 0.00 0.00 53.44 53.01 2gqj n ALA 18 Cb 0.69 -0.55 0.33 0.00 0.00 0.00 0.00 19.45 19.92 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 0.06 0.88 0.12 0.00 2.04 -0.45 0.36 117.51 120.51 2gqj h ILE 19 Ca -0.46 -0.28 -0.27 0.00 1.00 0.00 0.00 64.86 64.86 2gqj h ILE 19 Cb 2.01 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2gqj h ILE 19 CO 0.05 0.15 -1.35 1.12 0.00 0.00 0.00 178.15 178.11 2gqj h HIS 20 N 0.81 0.45 0.66 1.37 2.07 -1.25 -2.28 115.15 116.98 2gqj h HIS 20 Ca 0.46 -0.33 -0.03 0.00 -2.85 0.00 0.00 60.37 57.62 2gqj h HIS 20 Cb 0.61 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.57 2gqj h HIS 20 CO -0.00 1.53 -0.37 0.93 -3.07 0.00 0.00 177.93 176.95 2gqj h GLU 21 N -0.32 -0.92 0.00 5.12 5.08 -1.29 -3.39 114.58 118.86 2gqj h GLU 21 Ca -0.29 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2gqj h GLU 21 Cb 1.75 0.21 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2gqj h GLU 21 CO 0.07 -0.61 -0.12 0.54 -1.00 0.00 0.00 179.01 177.88 2gqj n ARG 22 N -5.51 0.09 0.00 2.33 5.12 0.12 -5.06 116.66 113.75 2gqj n ARG 22 Ca -0.13 0.23 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2gqj n ARG 22 Cb 0.40 -0.86 0.00 0.00 -1.16 0.00 0.00 32.46 30.84 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 1.66 -0.15 3.55 -0.13 0.00 -0.86 -5.01 105.19 104.24 2gqj n GLY 23 Ca -0.02 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 1.42 -0.59 1.61 -1.05 -1.20 -4.53 118.70 114.36 2gqj s GLU 24 Ca 0.00 -0.68 0.02 0.00 -0.15 0.00 0.00 54.97 54.16 2gqj s GLU 24 Cb 0.00 0.58 0.15 0.00 -0.44 0.00 0.00 34.13 34.42 2gqj s GLU 24 CO 0.00 -0.63 0.36 0.00 0.95 0.00 0.00 175.26 175.95 2gqj s ALA 25 N -3.82 3.49 1.35 -0.84 0.00 -1.26 -4.41 121.76 116.28 2gqj s ALA 25 Ca 0.05 -3.39 -0.19 0.00 0.00 0.00 0.00 51.96 48.43 2gqj s ALA 25 Cb -0.02 -2.31 0.35 0.00 0.00 0.00 0.00 23.12 21.13 2gqj s ALA 25 CO -0.06 -2.06 0.95 0.14 0.00 0.00 0.00 175.76 174.73 2gqj s VAL 26 N -0.46 1.47 0.04 0.00 -7.23 -1.26 -4.79 120.40 108.17 2gqj s VAL 26 Ca 0.19 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.05 2gqj s VAL 26 Cb -0.21 -2.04 -0.07 0.00 0.56 0.00 0.00 36.38 34.62 2gqj s VAL 26 CO -0.04 0.00 1.52 0.00 -0.31 0.00 0.00 175.10 176.28 2gqj n PRO 28 N 5.37 0.49 -0.04 0.00 -0.04 -1.26 0.16 135.00 139.67 2gqj n PRO 28 Ca 0.14 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.52 2gqj n PRO 28 Cb 0.42 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.73 1.09 -0.10 0.52 -1.04 -1.26 -4.83 114.28 107.94 2gqj n THR 29 Ca 0.05 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2gqj n THR 29 Cb 0.02 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 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 -0.06 -2.29 -3.29 0.00 6.94 0.41 -4.78 115.26 112.19 2gqj n ASN 31 Ca 0.00 -1.08 -0.05 0.00 -0.02 0.00 0.00 54.58 53.43 2gqj n ASN 31 Cb 0.06 -2.80 -0.06 0.00 -2.36 0.00 0.00 39.78 34.62 2gqj n ASN 31 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2gqj s VAL 32 N -3.79 -0.73 0.18 3.53 -7.23 -1.26 -4.62 120.40 106.48 2gqj s VAL 32 Ca 0.22 -0.05 -0.10 0.00 -1.81 0.00 0.00 61.98 60.25 2gqj s VAL 32 Cb -0.09 -0.87 0.04 0.00 0.56 0.00 0.00 36.38 36.01 2gqj s VAL 32 CO 0.90 -0.08 0.49 1.33 -0.31 0.00 0.00 175.10 177.43 2gqj n VAL 33 N 5.38 0.00 -1.48 1.32 0.24 -1.26 -4.68 118.33 117.85 2gqj n VAL 33 Ca -0.03 -0.47 -0.37 0.00 -2.04 0.00 0.00 64.34 61.43 2gqj n VAL 33 Cb 0.50 0.51 0.06 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.34 2.93 -0.27 3.34 -1.04 -1.26 -4.74 114.28 112.90 2gqj n THR 34 Ca -0.04 -0.47 0.04 0.00 -2.04 0.00 0.00 64.05 61.55 2gqj n THR 34 Cb 0.33 -0.95 0.14 0.00 -1.82 0.00 0.00 70.33 68.02 2gqj n THR 34 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2gqj h ARG 35 N 0.14 0.04 0.00 -2.82 9.65 -2.02 1.21 114.38 120.59 2gqj h ARG 35 Ca -0.47 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.40 2gqj h ARG 35 Cb 1.37 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.94 2gqj h ARG 35 CO 0.48 0.03 -0.03 0.87 2.80 0.00 0.00 179.97 184.11 2gqj h LYS 36 N 0.05 0.00 -3.65 0.20 1.79 -1.98 -3.46 116.57 109.51 2gqj h LYS 36 Ca 0.40 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.62 2gqj h LYS 36 Cb 0.68 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 2gqj h LYS 36 CO -0.74 0.03 -0.32 0.25 -1.08 0.00 0.00 179.45 177.59 2gqj n THR 37 N -3.15 -0.57 0.06 -0.16 -2.24 0.42 -4.70 114.28 103.94 2gqj n THR 37 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2gqj n THR 37 Cb 0.31 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 2gqj n THR 37 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2gqj n LEU 38 N -2.75 0.50 -0.06 3.22 4.77 -1.26 -4.25 117.00 117.17 2gqj n LEU 38 Ca -0.15 0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 56.02 2gqj n LEU 38 Cb 0.60 -0.05 0.24 0.00 -2.33 0.00 0.00 43.42 41.88 2gqj n LEU 38 CO 0.18 -0.63 0.94 -0.37 -1.33 0.00 0.00 177.39 176.18 2gqj h VAL 39 N 0.00 1.21 0.00 4.08 -1.51 -1.95 -2.87 116.25 115.21 2gqj h VAL 39 Ca 0.00 -0.83 -0.35 0.00 -1.23 0.00 0.00 66.70 64.29 2gqj h VAL 39 Cb 0.16 0.84 -0.06 0.00 -2.13 0.00 0.00 31.29 30.10 2gqj h VAL 39 CO 0.00 0.29 -2.23 0.61 -1.23 0.00 0.00 177.57 175.01 2gqj n GLY 40 N -0.83 -0.94 0.36 5.19 0.00 -1.26 -3.96 105.19 103.73 2gqj n GLY 40 Ca 0.02 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.86 2gqj n GLY 40 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2gqj h LEU 41 N 0.00 0.65 -0.04 0.99 5.85 -1.73 1.62 115.31 122.66 2gqj h LEU 41 Ca -0.49 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 57.98 2gqj h LEU 41 Cb 2.17 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 43.09 2gqj h LEU 41 CO 0.03 0.41 -0.99 0.11 -0.34 0.00 0.00 178.44 177.66 2gqj h LYS 42 N 0.73 0.71 0.00 1.25 1.57 -1.70 -0.53 116.57 118.61 2gqj h LYS 42 Ca 0.33 -0.73 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2gqj h LYS 42 Cb 0.35 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2gqj h LYS 42 CO -0.12 1.31 -0.21 1.63 -0.57 0.00 0.00 179.45 181.49 2gqj n LYS 43 N -3.87 0.06 -0.06 3.15 5.02 -0.72 -3.29 118.16 118.46 2gqj n LYS 43 Ca -0.10 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.03 2gqj n LYS 43 Cb 0.85 -1.55 -0.13 0.00 -0.02 0.00 0.00 35.03 34.18 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 -1.65 0.64 0.22 2.13 -0.00 0.55 -4.24 115.22 112.86 2gqj n HIS 44 Ca 0.06 0.14 0.07 0.00 0.46 0.00 0.00 57.72 58.45 2gqj n HIS 44 Cb 0.36 -1.08 0.50 0.00 -0.12 0.00 0.00 29.99 29.65 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 0.04 0.00 -0.91 1.57 -0.00 -1.19 0.28 114.93 114.72 2gqj h MET 45 Ca -0.50 0.00 0.12 0.00 -0.00 0.00 0.00 59.70 59.32 2gqj h MET 45 Cb 1.98 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 33.51 2gqj h MET 45 CO 0.00 0.26 0.58 1.05 -0.00 0.00 0.00 176.91 178.81 2gqj h GLU 46 N 0.00 0.80 0.00 -0.10 4.11 -1.73 -2.81 114.58 114.86 2gqj h GLU 46 Ca -0.00 -0.05 -0.09 0.00 0.07 0.00 0.00 59.36 59.29 2gqj h GLU 46 Cb 0.56 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2gqj h GLU 46 CO 0.03 0.53 -1.78 1.33 0.07 0.00 0.00 179.01 179.19 2gqj n VAL 47 N -4.56 0.33 -0.28 -1.06 0.24 -1.07 -4.61 118.33 107.33 2gqj n VAL 47 Ca 0.17 -0.43 -0.04 0.00 -2.04 0.00 0.00 64.34 61.99 2gqj n VAL 47 Cb 0.38 -0.11 0.01 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.11 0.36 0.42 0.00 4.20 -1.81 0.20 115.11 118.38 2gqj h GLN 49 Ca 0.26 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 2gqj h GLN 49 Cb 0.57 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2gqj h GLN 49 CO -0.81 0.24 -0.20 -0.22 -0.67 0.00 0.00 178.83 177.17 2gqj h LYS 50 N 0.37 -0.54 -0.71 1.46 3.64 -0.66 -2.97 116.57 117.15 2gqj h LYS 50 Ca 0.47 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.95 2gqj h LYS 50 Cb 0.82 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.71 2gqj h LYS 50 CO -0.49 -0.34 0.41 -0.07 -2.27 0.00 0.00 179.45 176.68 2gqj h LEU 51 N -0.61 0.61 -0.89 5.20 3.38 -0.23 -2.44 115.31 120.34 2gqj h LEU 51 Ca -0.06 0.03 0.25 0.00 0.09 0.00 0.00 57.88 58.19 2gqj h LEU 51 Cb 0.46 -0.10 -0.17 0.00 0.09 0.00 0.00 40.66 40.94 2gqj h LEU 51 CO 0.09 0.40 0.03 1.67 0.09 0.00 0.00 178.44 180.72 2gqj n GLN 52 N -4.75 -0.07 -0.30 1.13 -0.06 0.62 0.12 117.38 114.06 2gqj n GLN 52 Ca 0.09 1.33 0.13 0.00 -2.00 0.00 0.00 57.00 56.56 2gqj n GLN 52 Cb 0.17 -2.12 0.29 0.00 -4.06 0.00 0.00 30.24 24.52 2gqj n GLN 52 CO 0.00 0.00 0.00 0.38 -0.20 0.00 0.00 177.06 177.24 2gqj h ASP 53 N 0.00 -0.07 0.74 1.69 2.03 -1.48 -0.85 116.42 118.49 2gqj h ASP 53 Ca 0.55 0.21 -0.03 0.00 -0.73 0.00 0.00 57.03 57.03 2gqj h ASP 53 Cb 1.14 0.30 -0.01 0.00 -0.83 0.00 0.00 39.33 39.93 2gqj h ASP 53 CO -0.83 -0.19 -0.50 0.00 -1.03 0.00 0.00 179.24 176.68 2gqj h ALA 54 N 1.81 -1.26 -1.01 4.15 0.00 0.77 -2.55 119.26 121.17 2gqj h ALA 54 Ca 0.56 -0.24 0.24 0.00 0.00 0.00 0.00 54.91 55.47 2gqj h ALA 54 Cb 1.15 0.64 -0.12 0.00 0.00 0.00 0.00 17.79 19.47 2gqj h ALA 54 CO -0.70 -1.23 0.61 -0.07 0.00 0.00 0.00 179.25 177.87 2gqj h LEU 55 N -1.18 0.64 -8.67 0.00 3.38 -1.20 -3.40 115.31 104.87 2gqj h LEU 55 Ca -0.10 0.12 -0.67 0.00 0.09 0.00 0.00 57.88 57.32 2gqj h LEU 55 Cb 0.96 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2gqj h LEU 55 CO 0.07 0.12 1.35 1.17 0.09 0.00 0.00 178.44 181.25 2gqj n LYS 56 N -4.81 1.22 -0.21 1.13 4.81 -0.51 -4.56 118.16 115.22 2gqj n LYS 56 Ca 0.26 0.36 -0.24 0.00 -0.87 0.00 0.00 58.31 57.82 2gqj n LYS 56 Cb 0.75 -2.49 0.23 0.00 0.02 0.00 0.00 35.03 33.54 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 -4.94 0.00 -0.28 0.00 6.02 -1.26 -3.93 117.38 112.99 2gqj n GLN 58 Ca 0.11 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.14 2gqj n GLN 58 Cb 0.47 -0.43 0.18 0.00 1.02 0.00 0.00 30.24 31.48 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2gqj h HIS 59 N 0.00 0.77 0.00 1.08 3.86 -2.00 -2.49 115.15 116.36 2gqj h HIS 59 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2gqj h HIS 59 Cb 0.14 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2gqj h HIS 59 CO 0.00 0.25 -1.72 0.00 0.86 0.00 0.00 177.93 177.32 2gqj n ARG 61 N -2.05 -4.19 -4.27 0.00 5.12 -0.94 -4.97 116.66 105.35 2gqj n ARG 61 Ca -0.02 0.51 -0.29 0.00 -1.93 0.00 0.00 57.85 56.12 2gqj n ARG 61 Cb 0.49 -4.95 -0.10 0.00 -1.16 0.00 0.00 32.46 26.73 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 -6.39 1.97 0.28 5.56 2.20 -1.26 -4.86 119.74 117.24 2gqj s LYS 62 Ca 0.16 -1.15 -0.17 0.00 -0.36 0.00 0.00 55.97 54.46 2gqj s LYS 62 Cb -0.09 -2.19 -0.09 0.00 -1.51 0.00 0.00 37.83 33.96 2gqj s LYS 62 CO 0.86 0.48 0.73 -1.14 -0.36 0.00 0.00 175.35 175.91 2gqj s GLN 63 N -2.33 4.09 -0.06 4.03 -0.44 -1.26 -1.87 119.66 121.82 2gqj s GLN 63 Ca 0.21 0.74 0.00 0.00 -2.50 0.00 0.00 55.36 53.81 2gqj s GLN 63 Cb -0.10 -2.61 0.02 0.00 -1.64 0.00 0.00 33.01 28.68 2gqj s GLN 63 CO 0.13 0.25 -0.05 -0.06 0.50 0.00 0.00 175.29 176.06 2gqj s PHE 64 N -1.80 0.91 -0.40 1.67 0.40 -1.26 -4.99 117.98 112.50 2gqj s PHE 64 Ca 0.50 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 2gqj s PHE 64 Cb -0.13 -0.81 0.36 0.00 0.51 0.00 0.00 43.02 42.95 2gqj s PHE 64 CO 0.19 -0.27 1.87 0.36 0.70 0.00 0.00 175.22 178.07 2gqj n LYS 65 N 4.37 2.03 -3.63 0.44 0.00 -1.26 -4.85 118.16 115.26 2gqj n LYS 65 Ca -0.19 -2.16 -0.08 0.00 -0.00 0.00 0.00 58.31 55.87 2gqj n LYS 65 Cb 0.51 -1.85 -0.07 0.00 -0.00 0.00 0.00 35.03 33.62 2gqj n LYS 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2gqj s SER 66 N -0.59 -0.38 -0.00 -5.58 0.15 -1.26 -4.59 113.70 101.45 2gqj s SER 66 Ca 0.42 0.69 -0.21 0.00 0.70 0.00 0.00 55.95 57.55 2gqj s SER 66 Cb 0.34 0.68 -0.21 0.00 -1.71 0.00 0.00 66.02 65.12 2gqj s SER 66 CO 0.02 -0.15 1.13 0.11 1.20 0.00 0.00 173.24 175.55 2gqj h LYS 67 N 3.81 0.35 -0.92 5.44 6.56 -1.97 -3.15 116.57 126.70 2gqj h LYS 67 Ca -0.27 -0.32 -0.01 0.00 -1.06 0.00 0.00 60.65 58.99 2gqj h LYS 67 Cb 1.18 0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 32.87 2gqj h LYS 67 CO 0.14 0.99 0.54 0.00 -2.06 0.00 0.00 179.45 179.07 2gqj h ALA 68 N 0.36 1.17 -0.77 3.86 0.00 -1.99 -1.53 119.26 120.35 2gqj h ALA 68 Ca -0.04 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2gqj h ALA 68 Cb 1.11 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2gqj h ALA 68 CO 0.08 0.64 0.49 0.78 0.00 0.00 0.00 179.25 181.24 2gqj h GLY 69 N 1.27 1.12 0.49 0.00 0.00 -1.97 -2.55 103.07 101.43 2gqj h GLY 69 Ca 0.33 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2gqj h GLY 69 CO -0.06 0.30 -0.08 -2.00 0.00 0.00 0.00 176.54 174.71 2gqj h LEU 70 N 0.94 -0.18 -0.89 3.11 5.85 -1.43 -0.41 115.31 122.29 2gqj h LEU 70 Ca 0.31 -0.34 0.16 0.00 0.84 0.00 0.00 57.88 58.85 2gqj h LEU 70 Cb 0.04 0.05 -0.16 0.00 0.37 0.00 0.00 40.66 40.95 2gqj h LEU 70 CO -0.12 0.30 -0.30 0.78 -0.34 0.00 0.00 178.44 178.76 2gqj h ASN 71 N -0.73 -1.09 0.34 1.25 2.35 -1.18 0.25 115.58 116.77 2gqj h ASN 71 Ca -0.02 0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 2gqj h ASN 71 Cb 0.51 0.63 0.00 0.00 0.05 0.00 0.00 38.32 39.52 2gqj h ASN 71 CO 0.04 -0.30 -0.16 0.22 -1.65 0.00 0.00 177.43 175.58 2gqj h TYR 72 N -0.02 -0.42 -1.00 1.19 3.20 -1.51 -3.33 116.97 115.07 2gqj h TYR 72 Ca 0.38 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.36 2gqj h TYR 72 Cb 0.63 0.14 -0.14 0.00 1.54 0.00 0.00 36.73 38.90 2gqj h TYR 72 CO -0.75 -0.16 -0.50 1.25 -1.64 0.00 0.00 178.16 176.36 2gqj h HIS 73 N -1.06 -1.52 -0.97 -3.82 -0.00 -0.41 0.71 115.15 108.08 2gqj h HIS 73 Ca -0.05 0.12 0.39 0.00 -0.00 0.00 0.00 60.37 60.83 2gqj h HIS 73 Cb 0.45 0.80 -0.16 0.00 -0.00 0.00 0.00 27.41 28.50 2gqj h HIS 73 CO 0.02 -0.39 0.55 2.41 -0.00 0.00 0.00 177.93 180.52 2gqj n THR 74 N -5.35 -0.35 -0.07 6.26 -1.04 0.82 0.57 114.28 115.11 2gqj n THR 74 Ca 0.06 1.81 -0.09 0.00 -2.04 0.00 0.00 64.05 63.79 2gqj n THR 74 Cb 0.33 -2.95 -0.05 0.00 -1.82 0.00 0.00 70.33 65.84 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 0.00 -0.23 -2.82 -1.53 0.19 -2.08 114.93 108.46 2gqj h MET 75 Ca 0.78 0.00 0.05 0.00 -3.44 0.00 0.00 59.70 57.09 2gqj h MET 75 Cb 2.15 0.00 -0.07 0.00 -0.55 0.00 0.00 31.60 33.12 2gqj h MET 75 CO -0.65 0.36 -0.44 0.00 0.14 0.00 0.00 176.91 176.32 2gqj h ALA 76 N -0.75 -0.58 0.16 0.39 0.00 0.80 0.28 119.26 119.55 2gqj h ALA 76 Ca -0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2gqj h ALA 76 Cb 0.62 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2gqj h ALA 76 CO -0.05 -0.93 -0.08 0.93 0.00 0.00 0.00 179.25 179.12 2gqj h GLU 77 N -0.45 -0.21 -3.05 0.00 4.39 -0.08 -3.37 114.58 111.81 2gqj h GLU 77 Ca 0.09 0.01 -0.73 0.00 0.34 0.00 0.00 59.36 59.08 2gqj h GLU 77 Cb 0.62 0.05 -0.34 0.00 -0.10 0.00 0.00 28.75 28.98 2gqj h GLU 77 CO -0.47 0.21 0.14 0.72 -1.16 0.00 0.00 179.01 178.45 2gqj n HIS 78 N -4.93 3.76 -1.37 4.33 8.25 -0.78 -5.03 115.22 119.44 2gqj n HIS 78 Ca -0.08 -3.69 -0.53 0.00 -0.26 0.00 0.00 57.72 53.15 2gqj n HIS 78 Cb 0.27 -1.15 -0.10 0.00 1.12 0.00 0.00 29.99 30.13 2gqj n HIS 78 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2gqj n SER 79 N 1.83 1.39 -4.52 0.41 7.64 0.96 -3.99 113.62 117.35 2gqj n SER 79 Ca 0.25 0.47 -0.42 0.00 1.01 0.00 0.00 58.87 60.18 2gqj n SER 79 Cb 0.37 -1.09 -0.03 0.00 -1.01 0.00 0.00 64.21 62.45 2gqj n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gqj s ALA 80 N 7.07 2.91 0.10 -0.43 0.00 -1.26 -4.97 121.76 125.17 2gqj s ALA 80 Ca 1.16 -2.01 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2gqj s ALA 80 Cb -1.14 -4.24 -0.04 0.00 0.00 0.00 0.00 23.12 17.70 2gqj s ALA 80 CO 0.55 -3.25 -0.08 0.15 0.00 0.00 0.00 175.76 173.13 2gqj s LYS 81 N 4.64 0.82 0.00 0.00 -0.14 -1.26 -4.94 119.74 118.85 2gqj s LYS 81 Ca 0.36 -1.23 0.00 0.00 -1.36 0.00 0.00 55.97 53.74 2gqj s LYS 81 Cb -0.06 -0.34 0.00 0.00 -1.68 0.00 0.00 37.83 35.75 2gqj s LYS 81 CO 0.01 0.02 0.30 -0.35 -0.76 0.00 0.00 175.35 174.58 2gqj n PRO 82 N 0.29 0.49 -0.92 -1.68 -0.04 -1.26 -4.44 135.00 127.45 2gqj n PRO 82 Ca -0.14 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.08 2gqj n PRO 82 Cb 0.59 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.81 2gqj n PRO 82 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2gqj n SER 83 N 0.09 5.86 -3.27 3.54 3.41 -1.26 -4.78 113.62 117.21 2gqj n SER 83 Ca 0.00 -2.37 -0.20 0.00 -0.26 0.00 0.00 58.87 56.04 2gqj n SER 83 Cb 0.09 -1.23 -0.08 0.00 -0.26 0.00 0.00 64.21 62.73 2gqj n SER 83 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2gqj n ASP 84 N 3.57 -0.66 0.08 4.04 5.68 -1.26 -5.07 116.55 122.93 2gqj n ASP 84 Ca 0.52 -3.21 -0.12 0.00 -0.50 0.00 0.00 54.79 51.48 2gqj n ASP 84 Cb 0.32 1.67 -0.05 0.00 -1.14 0.00 0.00 41.12 41.92 2gqj n ASP 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gqj h ALA 85 N 2.07 -0.27 -2.41 2.12 0.00 -2.00 -3.43 119.26 115.35 2gqj h ALA 85 Ca -0.24 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2gqj h ALA 85 Cb 1.21 0.32 -0.26 0.00 0.00 0.00 0.00 17.79 19.06 2gqj h ALA 85 CO 0.35 -0.70 -0.30 -1.21 0.00 0.00 0.00 179.25 177.39 2gqj s GLU 86 N -6.11 0.39 -0.29 0.00 8.01 -1.26 -5.15 118.70 114.29 2gqj s GLU 86 Ca -0.15 1.11 -0.18 0.00 0.01 0.00 0.00 54.97 55.76 2gqj s GLU 86 Cb 0.08 0.41 0.13 0.00 -4.31 0.00 0.00 34.13 30.44 2gqj s GLU 86 CO 0.66 -0.23 0.94 0.00 0.01 0.00 0.00 175.26 176.64 2gqj s ALA 87 N 2.54 -2.16 -0.71 5.21 0.00 -1.26 -5.11 121.76 120.27 2gqj s ALA 87 Ca -0.03 2.19 -0.06 0.00 0.00 0.00 0.00 51.96 54.05 2gqj s ALA 87 Cb -0.11 -1.62 0.18 0.00 0.00 0.00 0.00 23.12 21.57 2gqj s ALA 87 CO -0.14 -0.33 0.56 0.45 0.00 0.00 0.00 175.76 176.30 2gqj s SER 88 N 1.20 5.73 -0.30 0.00 0.15 -1.26 -4.87 113.70 114.36 2gqj s SER 88 Ca -0.07 -2.89 -0.16 0.00 0.70 0.00 0.00 55.95 53.53 2gqj s SER 88 Cb -0.04 -1.96 0.17 0.00 -1.71 0.00 0.00 66.02 62.48 2gqj s SER 88 CO -0.14 -0.41 1.10 -0.70 1.20 0.00 0.00 173.24 174.29 2gqj s GLU 89 N -0.12 0.22 -0.30 5.44 2.56 -1.26 -5.16 118.70 120.09 2gqj s GLU 89 Ca 0.18 0.42 -0.21 0.00 0.00 0.00 0.00 54.97 55.37 2gqj s GLU 89 Cb -0.16 0.10 0.20 0.00 2.00 0.00 0.00 34.13 36.27 2gqj s GLU 89 CO -0.05 -0.05 1.36 0.20 -0.56 0.00 0.00 175.26 176.15 2gqj s GLY 90 N 1.47 0.51 -0.10 -1.50 0.00 -1.26 -4.03 107.32 102.41 2gqj s GLY 90 Ca -0.07 3.71 -0.33 0.00 0.00 0.00 0.00 44.72 48.03 2gqj s GLY 90 CO -0.14 2.36 1.38 -0.32 0.00 0.00 0.00 173.10 176.39 2gqj s GLY 91 N 0.53 -0.43 0.11 0.20 0.00 -1.26 -5.15 107.32 101.32 2gqj s GLY 91 Ca -0.00 1.04 0.06 0.00 0.00 0.00 0.00 44.72 45.82 2gqj s GLY 91 CO -0.13 0.24 -0.02 -0.54 0.00 0.00 0.00 173.10 172.65 2gqj s GLU 92 N -2.15 2.43 0.03 2.90 2.02 -1.26 -5.13 118.70 117.54 2gqj s GLU 92 Ca 0.14 -0.94 -0.05 0.00 0.02 0.00 0.00 54.97 54.15 2gqj s GLU 92 Cb 0.06 -2.45 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 2gqj s GLU 92 CO -0.05 0.51 0.07 -1.54 0.02 0.00 0.00 175.26 174.27 2gqj s SER 93 N -2.44 0.18 -0.38 -0.19 1.04 -1.26 -5.10 113.70 105.55 2gqj s SER 93 Ca 0.25 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.21 2gqj s SER 93 Cb -0.11 0.20 0.29 0.00 0.10 0.00 0.00 66.02 66.49 2gqj s SER 93 CO 0.18 -0.45 1.19 0.61 0.98 0.00 0.00 173.24 175.74 2gqj n GLY 94 N 1.00 -1.03 0.25 7.32 0.00 -1.26 -5.02 105.19 106.45 2gqj n GLY 94 Ca -0.20 0.67 -0.12 0.00 0.00 0.00 0.00 46.02 46.37 2gqj n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqj h PRO 95 N 3.07 0.83 -6.12 1.61 0.13 -2.08 -3.47 132.00 125.97 2gqj h PRO 95 Ca -0.22 -0.44 -0.44 0.00 -0.87 0.00 0.00 66.00 64.03 2gqj h PRO 95 Cb 1.16 0.02 0.03 0.00 0.13 0.00 0.00 31.00 32.34 2gqj h PRO 95 CO 0.00 1.08 -0.75 0.45 -0.23 0.00 0.00 178.00 178.55 2gqj n SER 96 N -4.04 -4.48 -3.78 1.44 2.88 -1.26 -4.96 113.62 99.43 2gqj n SER 96 Ca -0.02 -0.72 -0.30 0.00 -1.33 0.00 0.00 58.87 56.50 2gqj n SER 96 Cb 0.55 -4.27 0.26 0.00 -0.75 0.00 0.00 64.21 60.00 2gqj n SER 96 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2gqj s SER 97 N -3.54 0.17 0.00 -3.46 0.01 -1.26 -5.36 113.70 100.26 2gqj s SER 97 Ca 0.50 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2gqj s SER 97 Cb -0.24 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.78 2gqj s SER 97 CO 0.80 -4.61 0.00 0.61 0.41 0.00 0.00 173.24 170.45