#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 -0.26 -0.11 1.61 0.15 -1.26 -5.18 113.70 108.66 2gqj s SER 2 Ca 0.00 0.36 -0.10 0.00 0.70 0.00 0.00 55.95 56.91 2gqj s SER 2 Cb 0.00 0.32 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 2gqj s SER 2 CO 0.00 -0.18 0.29 -0.94 1.20 0.00 0.00 173.24 173.62 2gqj s SER 3 N -0.64 -0.31 0.00 5.45 1.04 -1.26 -5.16 113.70 112.83 2gqj s SER 3 Ca 0.03 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2gqj s SER 3 Cb -0.02 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2gqj s SER 3 CO -0.05 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2gqj n GLY 4 N 2.94 1.54 3.60 7.32 0.00 -1.26 -5.19 105.19 114.15 2gqj n GLY 4 Ca -0.13 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 2gqj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gqj s SER 5 N 0.00 -0.24 0.22 1.61 0.15 -1.26 -5.19 113.70 108.98 2gqj s SER 5 Ca 0.00 0.25 -0.05 0.00 0.70 0.00 0.00 55.95 56.85 2gqj s SER 5 Cb 0.00 0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.49 2gqj s SER 5 CO 0.00 -0.24 0.24 -0.44 1.20 0.00 0.00 173.24 174.00 2gqj s SER 6 N -1.17 0.09 0.00 5.45 0.01 -1.26 -5.17 113.70 111.64 2gqj s SER 6 Ca 0.03 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.04 2gqj s SER 6 Cb -0.01 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2gqj s SER 6 CO -0.02 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2gqj n GLY 7 N -0.31 2.75 3.77 3.44 0.00 -1.26 -5.16 105.19 108.43 2gqj n GLY 7 Ca 0.01 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.57 2.95 -0.40 1.61 0.04 -1.26 -5.00 135.00 131.38 2gqj s PRO 8 Ca 0.00 1.46 0.08 0.00 0.04 0.00 0.00 61.00 62.57 2gqj s PRO 8 Cb 0.00 -1.97 0.34 0.00 0.04 0.00 0.00 34.50 32.92 2gqj s PRO 8 CO 0.00 -1.14 1.30 0.41 0.04 0.00 0.00 177.00 177.61 2gqj n GLY 9 N -0.32 0.96 3.92 0.56 0.00 -1.26 -5.14 105.19 103.91 2gqj n GLY 9 Ca 0.11 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 2gqj n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gqj s GLY 10 N -1.08 1.65 0.00 -0.02 0.00 -1.26 -4.99 107.32 101.63 2gqj s GLY 10 Ca 0.20 -1.54 0.15 0.00 0.00 0.00 0.00 44.72 43.54 2gqj s GLY 10 CO -0.08 -1.47 1.36 -1.55 0.00 0.00 0.00 173.10 171.37 2gqj n PRO 11 N -1.49 0.39 -2.27 2.90 -0.04 -1.26 -2.87 135.00 130.36 2gqj n PRO 11 Ca -0.02 0.05 -0.24 0.00 -0.04 0.00 0.00 63.50 63.26 2gqj n PRO 11 Cb 0.59 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.56 2gqj n PRO 11 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2gqj n GLU 12 N -1.10 3.37 -0.05 0.54 1.02 -1.26 -4.80 120.64 118.36 2gqj n GLU 12 Ca 0.10 -4.25 -0.02 0.00 -0.02 0.00 0.00 57.16 52.97 2gqj n GLU 12 Cb 0.08 -2.20 -0.01 0.00 -0.02 0.00 0.00 31.44 29.29 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 2.39 0.00 -0.16 3.49 5.08 -1.94 -3.24 114.58 120.20 2gqj h GLU 13 Ca 0.30 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 2gqj h GLU 13 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2gqj h GLU 13 CO 0.76 0.00 -0.14 0.37 -1.00 0.00 0.00 179.01 179.01 2gqj h GLN 14 N -0.80 0.37 -0.41 2.33 4.15 -1.87 -2.98 115.11 115.89 2gqj h GLN 14 Ca 0.00 -0.19 0.09 0.00 0.77 0.00 0.00 58.65 59.32 2gqj h GLN 14 Cb 0.26 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2gqj h GLN 14 CO 0.00 0.73 0.29 -1.49 -1.93 0.00 0.00 178.83 176.43 2gqj h TRP 15 N 0.01 0.16 -0.24 3.99 6.55 -1.87 -1.69 115.95 122.86 2gqj h TRP 15 Ca 0.03 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.80 2gqj h TRP 15 Cb 0.66 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.90 2gqj h TRP 15 CO 0.08 0.08 -0.12 0.37 -1.05 0.00 0.00 178.44 177.80 2gqj h GLN 16 N 0.15 0.50 -1.03 0.49 4.15 -1.56 -0.66 115.11 117.15 2gqj h GLN 16 Ca 0.19 -0.22 0.30 0.00 0.77 0.00 0.00 58.65 59.69 2gqj h GLN 16 Cb 0.56 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 2gqj h GLN 16 CO -0.03 0.77 0.84 0.00 -1.93 0.00 0.00 178.83 178.49 2gqj h ARG 17 N 0.21 0.00 0.03 1.69 -0.00 -1.16 -0.72 114.38 114.43 2gqj h ARG 17 Ca 0.05 0.00 -0.37 0.00 -0.50 0.00 0.00 59.98 59.16 2gqj h ARG 17 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.55 2gqj h ARG 17 CO 0.04 0.00 -2.09 0.00 0.00 0.00 0.00 179.97 177.92 2gqj n ALA 18 N -2.61 1.08 -0.29 0.04 0.00 -1.10 -3.23 120.51 114.41 2gqj n ALA 18 Ca 0.22 -0.84 0.28 0.00 0.00 0.00 0.00 53.44 53.11 2gqj n ALA 18 Cb 1.19 -0.26 0.65 0.00 0.00 0.00 0.00 19.45 21.02 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 -0.56 0.49 0.00 0.00 2.04 0.24 0.35 117.51 120.07 2gqj h ILE 19 Ca -0.53 -0.06 -0.27 0.00 1.00 0.00 0.00 64.86 65.01 2gqj h ILE 19 Cb 1.68 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 2gqj h ILE 19 CO -0.19 0.03 -1.67 0.00 0.00 0.00 0.00 178.15 176.32 2gqj n HIS 20 N -4.38 0.97 0.17 1.37 1.44 -0.42 -2.18 115.22 112.20 2gqj n HIS 20 Ca 0.24 0.35 -0.11 0.00 -2.01 0.00 0.00 57.72 56.18 2gqj n HIS 20 Cb 1.02 -1.16 -0.07 0.00 0.12 0.00 0.00 29.99 29.91 2gqj n HIS 20 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2gqj h GLU 21 N 0.00 -0.47 0.00 -1.40 5.08 -0.45 -3.41 114.58 113.93 2gqj h GLU 21 Ca -0.27 0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 57.92 2gqj h GLU 21 Cb 1.93 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 31.26 2gqj h GLU 21 CO 0.07 -0.17 -1.54 2.89 -1.00 0.00 0.00 179.01 179.26 2gqj n ARG 22 N -5.12 0.55 0.00 2.33 1.85 0.64 -5.06 116.66 111.84 2gqj n ARG 22 Ca -0.09 0.31 0.00 0.00 -1.00 0.00 0.00 57.85 57.08 2gqj n ARG 22 Cb 0.27 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 2gqj n ARG 22 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2gqj n GLY 23 N 1.40 0.81 3.51 2.89 0.00 -0.92 -5.04 105.19 107.83 2gqj n GLY 23 Ca -0.30 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 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 1.07 -1.02 1.61 1.03 -1.22 -4.52 118.70 115.66 2gqj s GLU 24 Ca 0.00 0.16 -0.09 0.00 0.03 0.00 0.00 54.97 55.07 2gqj s GLU 24 Cb 0.00 0.50 0.26 0.00 -0.80 0.00 0.00 34.13 34.09 2gqj s GLU 24 CO 0.00 -0.36 0.99 0.00 -1.33 0.00 0.00 175.26 174.56 2gqj s ALA 25 N -1.54 4.53 1.17 -0.84 0.00 -1.26 -4.65 121.76 119.17 2gqj s ALA 25 Ca -0.09 -3.74 -0.17 0.00 0.00 0.00 0.00 51.96 47.96 2gqj s ALA 25 Cb -0.00 -3.43 0.24 0.00 0.00 0.00 0.00 23.12 19.92 2gqj s ALA 25 CO 0.07 -2.21 0.50 1.33 0.00 0.00 0.00 175.76 175.45 2gqj n VAL 26 N 2.90 0.00 -2.06 0.00 0.24 -1.26 -4.82 118.33 113.33 2gqj n VAL 26 Ca 0.21 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.34 62.01 2gqj n VAL 26 Cb 0.40 -0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 32.07 2gqj n VAL 26 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gqj n PRO 28 N 7.34 0.49 -0.09 0.00 -0.04 -1.26 0.20 135.00 141.64 2gqj n PRO 28 Ca 0.18 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.50 2gqj n PRO 28 Cb 0.44 -1.23 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.96 0.00 0.52 -1.04 -1.26 -4.83 114.28 107.89 2gqj n THR 29 Ca 0.05 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 2gqj n THR 29 Cb 0.02 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 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 -1.35 -3.10 -3.42 0.00 2.85 0.54 -4.96 115.26 105.82 2gqj n ASN 31 Ca 0.00 -0.29 -0.12 0.00 -0.11 0.00 0.00 54.58 54.06 2gqj n ASN 31 Cb 0.14 -2.80 -0.10 0.00 1.24 0.00 0.00 39.78 38.26 2gqj n ASN 31 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2gqj s VAL 32 N -3.17 -0.52 0.22 3.44 -7.23 -1.26 -4.73 120.40 107.14 2gqj s VAL 32 Ca 0.15 -0.05 -0.15 0.00 -1.81 0.00 0.00 61.98 60.12 2gqj s VAL 32 Cb -0.06 -0.75 0.06 0.00 0.56 0.00 0.00 36.38 36.18 2gqj s VAL 32 CO 0.37 -0.12 0.75 1.33 -0.31 0.00 0.00 175.10 177.11 2gqj n VAL 33 N 5.35 0.00 -0.98 1.32 0.24 -1.26 -4.69 118.33 118.32 2gqj n VAL 33 Ca -0.05 -0.60 -0.34 0.00 -2.04 0.00 0.00 64.34 61.32 2gqj n VAL 33 Cb 0.50 0.69 0.11 0.00 -1.47 0.00 0.00 33.84 33.67 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 -0.52 0.80 -0.31 3.34 -1.04 -1.26 -4.86 114.28 110.43 2gqj n THR 34 Ca -0.04 -0.26 0.04 0.00 -2.04 0.00 0.00 64.05 61.75 2gqj n THR 34 Cb 0.47 -0.72 0.23 0.00 -1.82 0.00 0.00 70.33 68.49 2gqj n THR 34 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2gqj h ARG 35 N -1.11 1.02 0.14 -2.82 -0.00 -2.03 -2.37 114.38 107.21 2gqj h ARG 35 Ca -0.44 -0.06 -0.30 0.00 -0.50 0.00 0.00 59.98 58.67 2gqj h ARG 35 Cb 1.30 -0.23 0.03 0.00 0.00 0.00 0.00 29.97 31.07 2gqj h ARG 35 CO 0.38 0.68 -1.27 0.87 0.00 0.00 0.00 179.97 180.63 2gqj h LYS 36 N 1.05 0.58 -3.69 0.04 1.79 -1.96 -3.45 116.57 110.93 2gqj h LYS 36 Ca 0.39 -0.80 -0.40 0.00 -2.18 0.00 0.00 60.65 57.66 2gqj h LYS 36 Cb 0.19 0.27 0.02 0.00 -1.58 0.00 0.00 32.23 31.14 2gqj h LYS 36 CO -0.15 1.36 -0.56 0.25 -1.08 0.00 0.00 179.45 179.28 2gqj n THR 37 N -3.76 -1.52 -0.00 -0.16 -2.24 -0.89 -4.67 114.28 101.04 2gqj n THR 37 Ca -0.13 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2gqj n THR 37 Cb 1.00 -3.20 -0.00 0.00 -2.10 0.00 0.00 70.33 66.03 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 -3.47 1.90 -0.01 3.22 7.99 -1.26 -4.26 117.00 121.10 2gqj n LEU 38 Ca -0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 55.77 2gqj n LEU 38 Cb 0.65 -0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.83 2gqj n LEU 38 CO 0.38 0.32 -0.53 1.33 -1.51 0.00 0.00 177.39 177.38 2gqj n VAL 39 N -2.68 1.42 -0.08 4.08 0.24 -1.26 -4.19 118.33 115.85 2gqj n VAL 39 Ca -0.00 -0.76 -0.20 0.00 -2.04 0.00 0.00 64.34 61.34 2gqj n VAL 39 Cb 0.50 -0.86 -0.13 0.00 -1.47 0.00 0.00 33.84 31.89 2gqj n VAL 39 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gqj n GLY 40 N 1.52 -0.45 0.44 7.63 0.00 -1.26 -3.87 105.19 109.20 2gqj n GLY 40 Ca -0.16 -0.20 0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.06 0.24 0.08 0.99 5.85 -1.78 1.69 115.31 122.32 2gqj h LEU 41 Ca -0.53 0.03 -0.22 0.00 0.84 0.00 0.00 57.88 58.00 2gqj h LEU 41 Cb 1.91 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 42.96 2gqj h LEU 41 CO -0.05 0.07 -0.93 0.11 -0.34 0.00 0.00 178.44 177.30 2gqj h LYS 42 N 0.22 0.48 0.00 1.25 1.57 -1.75 -0.62 116.57 117.73 2gqj h LYS 42 Ca 0.50 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2gqj h LYS 42 Cb 1.57 0.21 0.00 0.00 0.08 0.00 0.00 32.23 34.09 2gqj h LYS 42 CO -0.13 1.26 -0.06 1.63 -0.57 0.00 0.00 179.45 181.57 2gqj n LYS 43 N -4.01 0.07 -0.12 3.15 4.01 0.12 -2.99 118.16 118.39 2gqj n LYS 43 Ca -0.13 0.05 -0.26 0.00 -0.51 0.00 0.00 58.31 57.47 2gqj n LYS 43 Cb 0.84 -1.57 -0.11 0.00 -0.51 0.00 0.00 35.03 33.68 2gqj n LYS 43 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2gqj n HIS 44 N -1.68 0.47 0.06 2.13 -0.00 0.55 -4.36 115.22 112.40 2gqj n HIS 44 Ca 0.06 0.19 0.05 0.00 -0.00 0.00 0.00 57.72 58.02 2gqj n HIS 44 Cb 0.36 -1.05 0.46 0.00 -0.00 0.00 0.00 29.99 29.77 2gqj n HIS 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2gqj h MET 45 N -0.88 0.41 -0.55 1.57 -0.00 -1.22 0.20 114.93 114.47 2gqj h MET 45 Ca -0.54 -0.03 0.11 0.00 -0.00 0.00 0.00 59.70 59.23 2gqj h MET 45 Cb 1.53 -0.09 -0.11 0.00 -0.00 0.00 0.00 31.60 32.93 2gqj h MET 45 CO -0.30 0.29 -0.25 1.05 -0.00 0.00 0.00 176.91 177.71 2gqj h GLU 46 N 0.42 -0.11 0.02 -0.10 4.11 -1.73 -2.44 114.58 114.76 2gqj h GLU 46 Ca 0.11 0.01 -0.30 0.00 0.07 0.00 0.00 59.36 59.25 2gqj h GLU 46 Cb -0.02 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2gqj h GLU 46 CO -0.02 -0.07 -1.72 -0.39 0.07 0.00 0.00 179.01 176.88 2gqj h VAL 47 N -0.11 0.85 -0.84 -1.06 -1.51 -1.71 -3.37 116.25 108.50 2gqj h VAL 47 Ca 0.25 -2.68 0.28 0.00 -1.23 0.00 0.00 66.70 63.31 2gqj h VAL 47 Cb 0.50 2.45 -0.15 0.00 -2.13 0.00 0.00 31.29 31.96 2gqj h VAL 47 CO -0.62 0.56 0.18 0.00 -1.23 0.00 0.00 177.57 176.46 2gqj h GLN 49 N 0.00 -0.60 -0.52 0.00 5.75 -1.70 -1.69 115.11 116.35 2gqj h GLN 49 Ca 0.58 0.04 0.10 0.00 -0.15 0.00 0.00 58.65 59.23 2gqj h GLN 49 Cb 1.36 0.14 -0.10 0.00 1.07 0.00 0.00 27.48 29.94 2gqj h GLN 49 CO -0.73 -0.40 -0.12 0.87 -2.65 0.00 0.00 178.83 175.80 2gqj h LYS 50 N -0.62 0.01 -0.13 1.69 6.56 -0.37 -2.03 116.57 121.69 2gqj h LYS 50 Ca 0.03 -0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.67 2gqj h LYS 50 Cb 0.67 -0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.27 2gqj h LYS 50 CO -0.29 0.00 -0.41 -0.07 -2.06 0.00 0.00 179.45 176.63 2gqj h LEU 51 N 0.01 -1.28 -0.93 2.94 -0.00 -1.06 -0.97 115.31 114.02 2gqj h LEU 51 Ca 0.25 0.17 0.27 0.00 -0.00 0.00 0.00 57.88 58.57 2gqj h LEU 51 Cb 0.38 0.52 -0.15 0.00 -0.00 0.00 0.00 40.66 41.41 2gqj h LEU 51 CO -0.52 -0.42 0.29 1.56 -0.00 0.00 0.00 178.44 179.34 2gqj h GLN 52 N -0.48 0.17 -0.92 1.13 1.08 -0.59 0.63 115.11 116.12 2gqj h GLN 52 Ca 0.08 -0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.40 2gqj h GLN 52 Cb 0.62 -0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.92 2gqj h GLN 52 CO -0.39 0.11 0.54 0.22 -0.95 0.00 0.00 178.83 178.36 2gqj h ASP 53 N 0.17 0.75 0.63 1.46 3.58 -0.90 -1.72 116.42 120.38 2gqj h ASP 53 Ca 0.62 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 58.11 2gqj h ASP 53 Cb 1.34 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 2gqj h ASP 53 CO -0.70 0.36 -0.43 0.00 -2.88 0.00 0.00 179.24 175.59 2gqj h ALA 54 N 1.54 -1.06 -0.95 -0.78 0.00 0.42 -2.67 119.26 115.76 2gqj h ALA 54 Ca 0.48 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.35 2gqj h ALA 54 Cb 0.57 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 2gqj h ALA 54 CO -0.30 -1.12 0.55 -0.07 0.00 0.00 0.00 179.25 178.32 2gqj h LEU 55 N -1.01 0.72 -9.35 0.00 3.38 -1.32 -3.42 115.31 104.31 2gqj h LEU 55 Ca -0.08 0.09 -0.65 0.00 0.09 0.00 0.00 57.88 57.33 2gqj h LEU 55 Cb 0.83 -0.04 0.07 0.00 0.09 0.00 0.00 40.66 41.61 2gqj h LEU 55 CO 0.05 0.30 0.41 1.17 0.09 0.00 0.00 178.44 180.46 2gqj n LYS 56 N -4.78 1.33 -0.86 1.13 4.81 -0.69 -4.67 118.16 114.44 2gqj n LYS 56 Ca 0.20 0.48 -0.29 0.00 -0.87 0.00 0.00 58.31 57.83 2gqj n LYS 56 Cb 0.48 -2.06 0.23 0.00 0.02 0.00 0.00 35.03 33.70 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 -4.75 0.07 -0.09 0.00 -0.06 -1.26 -3.73 117.38 107.56 2gqj n GLN 58 Ca 0.07 0.02 -0.12 0.00 -2.00 0.00 0.00 57.00 54.97 2gqj n GLN 58 Cb 0.57 -0.93 -0.05 0.00 -4.06 0.00 0.00 30.24 25.77 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2gqj h HIS 59 N -0.03 0.57 0.00 3.69 3.86 -2.00 -3.26 115.15 117.98 2gqj h HIS 59 Ca -0.07 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2gqj h HIS 59 Cb 1.09 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.43 2gqj h HIS 59 CO -0.00 0.74 -1.25 0.00 0.86 0.00 0.00 177.93 178.28 2gqj n ARG 61 N -1.70 -4.47 -4.81 0.00 3.00 -1.23 -4.97 116.66 102.47 2gqj n ARG 61 Ca 0.01 0.54 -0.33 0.00 -0.01 0.00 0.00 57.85 58.07 2gqj n ARG 61 Cb 0.38 -5.04 -0.13 0.00 0.00 0.00 0.00 32.46 27.67 2gqj n ARG 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2gqj s LYS 62 N -6.29 2.47 0.39 5.56 2.20 -1.26 -4.83 119.74 117.98 2gqj s LYS 62 Ca 0.14 -0.72 -0.22 0.00 -0.36 0.00 0.00 55.97 54.81 2gqj s LYS 62 Cb -0.07 -2.38 -0.11 0.00 -1.51 0.00 0.00 37.83 33.77 2gqj s LYS 62 CO 0.84 0.61 0.94 -1.14 -0.36 0.00 0.00 175.35 176.24 2gqj s GLN 63 N -0.88 4.32 -0.01 4.03 2.00 -1.26 -1.32 119.66 126.54 2gqj s GLN 63 Ca 0.12 1.16 0.01 0.00 -2.00 0.00 0.00 55.36 54.65 2gqj s GLN 63 Cb -0.11 -2.38 0.01 0.00 0.80 0.00 0.00 33.01 31.33 2gqj s GLN 63 CO 0.02 0.07 -0.02 -0.06 -0.50 0.00 0.00 175.29 174.80 2gqj s PHE 64 N -2.00 0.27 -0.62 1.67 0.40 -1.26 -4.97 117.98 111.47 2gqj s PHE 64 Ca 0.58 -0.04 -0.01 0.00 -0.60 0.00 0.00 56.93 56.87 2gqj s PHE 64 Cb -0.12 -0.23 0.50 0.00 0.51 0.00 0.00 43.02 43.68 2gqj s PHE 64 CO 0.16 -0.04 2.00 1.17 0.70 0.00 0.00 175.22 179.22 2gqj n LYS 65 N 3.29 2.60 -3.62 0.44 4.81 -1.26 -4.82 118.16 119.60 2gqj n LYS 65 Ca -0.16 -3.24 -0.09 0.00 -0.87 0.00 0.00 58.31 53.94 2gqj n LYS 65 Cb 0.57 -2.26 -0.07 0.00 0.02 0.00 0.00 35.03 33.29 2gqj n LYS 65 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2gqj s SER 66 N -1.74 -0.42 -0.08 3.14 0.15 -1.26 -5.05 113.70 108.44 2gqj s SER 66 Ca 0.63 0.73 -0.26 0.00 0.70 0.00 0.00 55.95 57.74 2gqj s SER 66 Cb 0.50 0.71 -0.24 0.00 -1.71 0.00 0.00 66.02 65.28 2gqj s SER 66 CO 0.02 -0.19 0.97 0.50 1.20 0.00 0.00 173.24 175.74 2gqj h LYS 67 N 3.77 0.08 -0.96 5.44 3.64 -2.00 -3.18 116.57 123.34 2gqj h LYS 67 Ca -0.26 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.06 2gqj h LYS 67 Cb 1.17 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 2gqj h LYS 67 CO 0.16 0.87 0.63 0.00 -2.27 0.00 0.00 179.45 178.85 2gqj h ALA 68 N 0.21 1.25 -0.48 5.00 0.00 -2.00 -2.62 119.26 120.62 2gqj h ALA 68 Ca -0.02 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2gqj h ALA 68 Cb 0.92 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2gqj h ALA 68 CO 0.02 0.56 0.22 0.78 0.00 0.00 0.00 179.25 180.84 2gqj h GLY 69 N 1.26 0.66 0.88 0.00 0.00 -1.98 -2.08 103.07 101.82 2gqj h GLY 69 Ca 0.37 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.59 2gqj h GLY 69 CO -0.10 0.08 0.61 -2.00 0.00 0.00 0.00 176.54 175.13 2gqj h LEU 70 N 0.44 1.02 0.66 3.11 5.85 -1.45 0.26 115.31 125.19 2gqj h LEU 70 Ca 0.22 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2gqj h LEU 70 Cb 0.16 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2gqj h LEU 70 CO -0.17 0.70 -0.37 0.78 -0.34 0.00 0.00 178.44 179.03 2gqj h ASN 71 N 1.18 -0.91 -0.29 1.25 2.35 -1.18 0.13 115.58 118.11 2gqj h ASN 71 Ca 0.37 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.16 2gqj h ASN 71 Cb 0.00 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2gqj h ASN 71 CO -0.12 -0.60 0.14 0.22 -1.65 0.00 0.00 177.43 175.42 2gqj h TYR 72 N -0.96 0.42 -0.04 1.19 3.20 -1.23 0.13 116.97 119.68 2gqj h TYR 72 Ca -0.08 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.80 2gqj h TYR 72 Cb 0.76 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 2gqj h TYR 72 CO -0.07 0.38 -0.20 1.25 -1.64 0.00 0.00 178.16 177.88 2gqj h HIS 73 N 0.33 -0.53 0.02 -3.82 2.76 -0.41 0.39 115.15 113.88 2gqj h HIS 73 Ca 0.10 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2gqj h HIS 73 Cb 0.12 0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.32 2gqj h HIS 73 CO -0.02 -0.28 -0.01 1.15 -1.30 0.00 0.00 177.93 177.47 2gqj h THR 74 N -0.30 1.15 -0.95 6.26 2.02 -0.64 0.46 112.91 120.90 2gqj h THR 74 Ca 0.07 -0.49 0.09 0.00 0.77 0.00 0.00 66.41 66.85 2gqj h THR 74 Cb 0.40 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 68.22 2gqj h THR 74 CO -0.22 0.13 0.61 -0.03 0.37 0.00 0.00 175.52 176.38 2gqj h MET 75 N -0.23 0.97 0.10 6.66 -1.53 -0.52 0.49 114.93 120.86 2gqj h MET 75 Ca -0.00 -0.06 -0.00 0.00 -3.44 0.00 0.00 59.70 56.19 2gqj h MET 75 Cb 0.22 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 31.06 2gqj h MET 75 CO 0.00 0.64 -0.05 0.00 0.14 0.00 0.00 176.91 177.65 2gqj h ALA 76 N 1.52 -0.17 -0.18 0.39 0.00 -0.04 -3.30 119.26 117.48 2gqj h ALA 76 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2gqj h ALA 76 Cb 0.36 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2gqj h ALA 76 CO -0.20 -0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.28 2gqj n GLU 77 N -4.06 0.00 -2.75 0.00 1.02 0.16 -4.16 120.64 110.84 2gqj n GLU 77 Ca -0.02 0.47 -0.43 0.00 -0.02 0.00 0.00 57.16 57.16 2gqj n GLU 77 Cb 0.05 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2gqj n GLU 77 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2gqj n HIS 78 N -1.91 4.20 -0.82 -0.32 8.25 0.17 -5.01 115.22 119.77 2gqj n HIS 78 Ca 0.00 -3.16 -0.33 0.00 -0.26 0.00 0.00 57.72 53.96 2gqj n HIS 78 Cb 0.00 -2.06 0.11 0.00 1.12 0.00 0.00 29.99 29.16 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 4.76 -2.77 -4.77 0.41 7.64 -1.06 -4.11 113.62 113.71 2gqj n SER 79 Ca 0.37 0.27 -0.31 0.00 1.01 0.00 0.00 58.87 60.21 2gqj n SER 79 Cb 0.40 -1.11 0.08 0.00 -1.01 0.00 0.00 64.21 62.57 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 -2.31 2.33 -0.13 -0.43 0.00 -1.26 -4.85 121.76 115.09 2gqj s ALA 80 Ca 0.54 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.47 2gqj s ALA 80 Cb -0.20 -3.27 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 2gqj s ALA 80 CO 0.70 -1.65 0.91 1.17 0.00 0.00 0.00 175.76 176.89 2gqj n LYS 81 N -3.34 0.00 -2.09 0.00 0.00 -1.26 -4.76 118.16 106.71 2gqj n LYS 81 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.97 2gqj n LYS 81 Cb 0.53 -1.08 -0.03 0.00 0.00 0.00 0.00 35.03 34.46 2gqj n LYS 81 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2gqj s PRO 82 N 0.81 3.45 0.57 1.64 0.04 -1.26 -4.99 135.00 135.26 2gqj s PRO 82 Ca 0.69 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 2gqj s PRO 82 Cb -0.97 -4.14 0.12 0.00 0.04 0.00 0.00 34.50 29.55 2gqj s PRO 82 CO 0.48 -1.71 0.27 0.43 0.04 0.00 0.00 177.00 176.51 2gqj n SER 83 N 9.70 -2.32 -4.18 6.66 7.64 -1.26 -4.69 113.62 125.17 2gqj n SER 83 Ca 0.21 -0.28 -0.56 0.00 1.01 0.00 0.00 58.87 59.25 2gqj n SER 83 Cb 0.47 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 63.17 2gqj n SER 83 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2gqj n ASP 84 N -2.08 0.19 -3.58 6.43 9.92 -1.26 -4.94 116.55 121.23 2gqj n ASP 84 Ca 0.04 1.07 -0.11 0.00 -0.53 0.00 0.00 54.79 55.27 2gqj n ASP 84 Cb 0.19 -0.84 -0.04 0.00 -0.64 0.00 0.00 41.12 39.79 2gqj n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gqj s ALA 85 N 0.49 -1.11 -1.19 2.24 0.00 -1.26 -4.95 121.76 115.98 2gqj s ALA 85 Ca 0.86 0.10 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 2gqj s ALA 85 Cb -1.21 0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2gqj s ALA 85 CO 0.57 -0.67 1.04 0.39 0.00 0.00 0.00 175.76 177.08 2gqj n GLU 86 N -0.25 -6.95 -1.21 0.00 1.02 -1.26 -4.87 120.64 107.12 2gqj n GLU 86 Ca -0.16 0.75 -0.41 0.00 -0.02 0.00 0.00 57.16 57.32 2gqj n GLU 86 Cb 0.64 -5.55 -0.03 0.00 -0.02 0.00 0.00 31.44 26.48 2gqj n GLU 86 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gqj n ALA 87 N -4.56 -2.62 -0.34 0.62 0.00 -1.26 -4.80 120.51 107.55 2gqj n ALA 87 Ca -0.05 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 2gqj n ALA 87 Cb 0.58 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 2gqj n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gqj h SER 88 N 0.86 -2.06 -0.73 0.00 0.87 -2.05 -3.39 113.55 107.05 2gqj h SER 88 Ca -0.24 0.30 -0.74 0.00 -1.23 0.00 0.00 61.79 59.88 2gqj h SER 88 Cb 1.24 0.90 -0.02 0.00 -0.44 0.00 0.00 62.40 64.08 2gqj h SER 88 CO 0.49 -0.28 1.22 1.21 -0.53 0.00 0.00 176.83 178.95 2gqj n GLU 89 N -5.26 0.57 0.00 2.24 0.00 -1.26 -4.36 120.64 112.57 2gqj n GLU 89 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.34 2gqj n GLU 89 Cb 0.28 -1.93 0.00 0.00 0.00 0.00 0.00 31.44 29.79 2gqj n GLU 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gqj n GLY 90 N 6.28 -2.33 7.00 8.31 0.00 -1.26 -5.10 105.19 118.09 2gqj n GLY 90 Ca 0.43 0.76 0.00 0.00 0.00 0.00 0.00 46.02 47.21 2gqj n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gqj n GLY 91 N -0.62 1.85 3.71 -0.02 0.00 -1.26 -4.68 105.19 104.17 2gqj n GLY 91 Ca 0.00 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 2gqj n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gqj s GLU 92 N 0.00 3.84 -0.22 1.61 1.03 -1.26 -5.07 118.70 118.64 2gqj s GLU 92 Ca 0.00 -0.28 -0.33 0.00 0.03 0.00 0.00 54.97 54.39 2gqj s GLU 92 Cb 0.00 -3.22 0.15 0.00 -0.80 0.00 0.00 34.13 30.26 2gqj s GLU 92 CO 0.00 0.41 1.23 -1.54 -1.33 0.00 0.00 175.26 174.03 2gqj s SER 93 N -0.00 -0.13 0.00 0.83 1.04 -1.26 -5.17 113.70 109.01 2gqj s SER 93 Ca 0.07 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2gqj s SER 93 Cb -0.12 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2gqj s SER 93 CO 0.00 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2gqj n GLY 94 N 0.17 -1.78 3.71 7.32 0.00 -1.26 -5.00 105.19 108.35 2gqj n GLY 94 Ca -0.01 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 2gqj n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqj s PRO 95 N 0.00 1.03 0.04 1.61 0.04 -1.26 -5.07 135.00 131.40 2gqj s PRO 95 Ca 0.00 0.74 0.09 0.00 0.04 0.00 0.00 61.00 61.87 2gqj s PRO 95 Cb 0.00 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2gqj s PRO 95 CO 0.00 -2.38 -0.26 -1.12 0.04 0.00 0.00 177.00 173.28 2gqj s SER 96 N -3.43 3.18 -0.16 6.66 0.01 -1.26 -5.13 113.70 113.57 2gqj s SER 96 Ca 0.64 -0.58 -0.15 0.00 1.31 0.00 0.00 55.95 57.17 2gqj s SER 96 Cb -0.18 -0.30 0.04 0.00 0.21 0.00 0.00 66.02 65.79 2gqj s SER 96 CO 0.57 0.26 0.43 -0.44 0.41 0.00 0.00 173.24 174.47 2gqj s SER 97 N -1.22 -0.45 0.00 2.44 0.01 -1.26 -5.30 113.70 107.92 2gqj s SER 97 Ca 0.12 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2gqj s SER 97 Cb -0.10 0.87 0.00 0.00 0.21 0.00 0.00 66.02 67.00 2gqj s SER 97 CO 0.02 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.12