#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 5.75 0.31 1.61 1.04 -1.26 -5.08 113.70 116.07 2gqj s SER 2 Ca 0.00 -0.72 -0.12 0.00 0.48 0.00 0.00 55.95 55.59 2gqj s SER 2 Cb 0.00 -2.05 -0.08 0.00 0.10 0.00 0.00 66.02 64.00 2gqj s SER 2 CO 0.00 -0.30 0.68 -0.55 0.98 0.00 0.00 173.24 174.05 2gqj s SER 3 N 1.61 6.67 0.34 7.02 0.15 -1.26 -5.10 113.70 123.14 2gqj s SER 3 Ca 0.04 1.12 0.04 0.00 0.70 0.00 0.00 55.95 57.85 2gqj s SER 3 Cb -0.18 -2.31 0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2gqj s SER 3 CO 0.07 -0.20 0.33 0.61 1.20 0.00 0.00 173.24 175.26 2gqj n GLY 4 N -0.47 2.53 3.89 9.45 0.00 -1.26 -5.12 105.19 114.21 2gqj n GLY 4 Ca 0.02 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 2gqj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gqj s SER 5 N -3.01 6.49 -0.05 1.61 1.04 -1.26 -5.03 113.70 113.49 2gqj s SER 5 Ca 0.25 0.55 -0.21 0.00 0.48 0.00 0.00 55.95 57.02 2gqj s SER 5 Cb -0.02 -2.08 -0.16 0.00 0.10 0.00 0.00 66.02 63.86 2gqj s SER 5 CO 0.16 0.21 0.87 0.77 0.98 0.00 0.00 173.24 176.23 2gqj h SER 6 N 3.69 -0.19 -4.82 7.02 4.64 -2.08 -3.49 113.55 118.32 2gqj h SER 6 Ca -0.49 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 2gqj h SER 6 Cb 1.19 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2gqj h SER 6 CO 0.68 0.36 -0.75 0.61 -0.87 0.00 0.00 176.83 176.87 2gqj n GLY 7 N 0.60 -3.48 0.23 -0.77 0.00 -1.26 -4.91 105.19 95.60 2gqj n GLY 7 Ca -0.08 0.51 0.10 0.00 0.00 0.00 0.00 46.02 46.55 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 2.39 0.00 0.00 1.61 0.13 -2.07 -3.48 132.00 130.58 2gqj h PRO 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2gqj h PRO 8 Cb 0.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.31 2gqj h PRO 8 CO 0.10 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 178.50 2gqj n GLY 9 N -0.06 2.11 0.00 1.56 0.00 -1.26 -5.09 105.19 102.45 2gqj n GLY 9 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.65 0.08 -0.02 0.00 -1.26 -4.58 105.19 101.06 2gqj n GLY 10 Ca 0.00 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 2gqj n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqj h PRO 11 N 0.00 0.10 -2.35 1.61 0.13 -2.07 -3.35 132.00 126.06 2gqj h PRO 11 Ca 0.00 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 64.41 2gqj h PRO 11 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 2gqj h PRO 11 CO 0.00 0.56 -0.10 0.39 -0.23 0.00 0.00 178.00 178.62 2gqj n GLU 12 N -4.77 3.61 -0.02 0.86 1.02 -1.26 -4.76 120.64 115.31 2gqj n GLU 12 Ca -0.08 -4.72 -0.20 0.00 -0.02 0.00 0.00 57.16 52.13 2gqj n GLU 12 Cb 0.28 -2.33 -0.14 0.00 -0.02 0.00 0.00 31.44 29.23 2gqj n GLU 12 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2gqj n GLU 13 N 0.38 0.74 -0.05 3.49 0.28 -1.26 -3.82 120.64 120.40 2gqj n GLU 13 Ca 0.33 0.24 -0.02 0.00 -0.16 0.00 0.00 57.16 57.55 2gqj n GLU 13 Cb 0.36 -1.68 -0.14 0.00 1.43 0.00 0.00 31.44 31.42 2gqj n GLU 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2gqj n GLN 14 N -3.43 0.97 0.21 3.44 10.64 -1.26 -3.51 117.38 124.44 2gqj n GLN 14 Ca -0.34 -0.07 0.10 0.00 -1.83 0.00 0.00 57.00 54.86 2gqj n GLN 14 Cb 1.04 -1.43 0.35 0.00 -0.86 0.00 0.00 30.24 29.33 2gqj n GLN 14 CO 0.00 0.00 0.00 -1.49 -1.83 0.00 0.00 177.06 173.74 2gqj h TRP 15 N 0.00 0.00 0.05 2.61 6.55 -1.87 -3.28 115.95 120.01 2gqj h TRP 15 Ca -0.28 0.00 -0.37 0.00 0.95 0.00 0.00 58.89 59.19 2gqj h TRP 15 Cb 1.57 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 29.83 2gqj h TRP 15 CO 0.00 0.21 -2.19 0.94 -1.05 0.00 0.00 178.44 176.36 2gqj n GLN 16 N -3.26 0.68 -0.11 0.49 0.00 -1.25 -3.79 117.38 110.13 2gqj n GLN 16 Ca 0.01 0.25 0.27 0.00 -0.00 0.00 0.00 57.00 57.53 2gqj n GLN 16 Cb 0.50 -1.61 0.67 0.00 0.00 0.00 0.00 30.24 29.79 2gqj n GLN 16 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 2gqj h ARG 17 N -0.19 0.00 0.08 3.69 0.11 -1.63 0.50 114.38 116.94 2gqj h ARG 17 Ca -0.51 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.25 2gqj h ARG 17 Cb 1.86 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.91 2gqj h ARG 17 CO -0.07 0.00 -1.75 0.00 0.10 0.00 0.00 179.97 178.25 2gqj h ALA 18 N 1.20 0.50 -0.21 0.08 0.00 -1.73 -2.26 119.26 116.85 2gqj h ALA 18 Ca 0.39 -1.33 0.06 0.00 0.00 0.00 0.00 54.91 54.03 2gqj h ALA 18 Cb 1.94 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 2gqj h ALA 18 CO -0.00 1.36 0.23 0.82 0.00 0.00 0.00 179.25 181.65 2gqj h ILE 19 N 0.05 0.46 0.00 0.00 2.04 -0.11 0.77 117.51 120.72 2gqj h ILE 19 Ca -0.32 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.29 2gqj h ILE 19 Cb 2.02 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.87 2gqj h ILE 19 CO 0.11 0.00 -1.96 0.00 0.00 0.00 0.00 178.15 176.30 2gqj n HIS 20 N -3.79 0.00 0.22 1.37 1.44 -1.02 -3.78 115.22 109.66 2gqj n HIS 20 Ca 0.02 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.61 2gqj n HIS 20 Cb 0.36 -0.69 -0.06 0.00 0.12 0.00 0.00 29.99 29.72 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 -0.59 0.00 -1.40 5.08 -0.76 -3.42 114.58 113.49 2gqj h GLU 21 Ca -0.38 0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 2gqj h GLU 21 Cb 1.85 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.22 2gqj h GLU 21 CO 0.02 -0.31 -1.28 2.89 -1.00 0.00 0.00 179.01 179.33 2gqj n ARG 22 N -5.20 0.43 0.00 2.33 1.85 0.13 -5.06 116.66 111.14 2gqj n ARG 22 Ca -0.09 0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2gqj n ARG 22 Cb 0.29 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 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 1.81 -2.02 3.23 2.89 0.00 -0.40 -5.02 105.19 105.68 2gqj n GLY 23 Ca -0.22 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 1.29 -0.63 1.61 -1.05 -1.25 -4.09 118.70 114.57 2gqj s GLU 24 Ca 0.00 -1.69 0.05 0.00 -0.15 0.00 0.00 54.97 53.18 2gqj s GLU 24 Cb 0.00 0.16 0.17 0.00 -0.44 0.00 0.00 34.13 34.02 2gqj s GLU 24 CO 0.00 -0.39 0.48 0.00 0.95 0.00 0.00 175.26 176.30 2gqj n ALA 25 N -0.34 3.32 -1.25 -0.84 0.00 -1.26 -4.43 120.51 115.71 2gqj n ALA 25 Ca 0.02 -4.21 -0.33 0.00 0.00 0.00 0.00 53.44 48.92 2gqj n ALA 25 Cb 0.66 -0.96 0.10 0.00 0.00 0.00 0.00 19.45 19.25 2gqj n ALA 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gqj s VAL 26 N -1.18 2.56 -0.49 0.00 -7.23 -1.26 -4.81 120.40 108.00 2gqj s VAL 26 Ca 0.28 0.24 -0.46 0.00 -1.81 0.00 0.00 61.98 60.23 2gqj s VAL 26 Cb -0.01 -2.69 -0.20 0.00 0.56 0.00 0.00 36.38 34.05 2gqj s VAL 26 CO -0.17 -0.18 1.71 0.00 -0.31 0.00 0.00 175.10 176.15 2gqj n PRO 28 N 4.71 0.49 -0.07 0.00 -0.04 -1.26 0.54 135.00 139.36 2gqj n PRO 28 Ca 0.35 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.73 2gqj n PRO 28 Cb -0.05 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.08 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 -0.81 1.45 0.01 0.52 -1.04 -1.26 -4.84 114.28 108.30 2gqj n THR 29 Ca 0.07 0.16 0.02 0.00 -2.04 0.00 0.00 64.05 62.26 2gqj n THR 29 Cb 0.03 -2.20 -0.03 0.00 -1.82 0.00 0.00 70.33 66.31 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 -1.62 -3.89 -3.58 0.00 4.13 0.19 -4.97 115.26 105.52 2gqj n ASN 31 Ca -0.01 -0.44 -0.28 0.00 1.68 0.00 0.00 54.58 55.53 2gqj n ASN 31 Cb 0.11 -4.02 -0.12 0.00 -1.54 0.00 0.00 39.78 34.21 2gqj n ASN 31 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2gqj s VAL 32 N -3.26 0.99 0.22 2.41 -7.23 -1.26 -4.74 120.40 107.53 2gqj s VAL 32 Ca 0.25 -2.65 -0.02 0.00 -1.81 0.00 0.00 61.98 57.75 2gqj s VAL 32 Cb -0.11 -1.69 0.01 0.00 0.56 0.00 0.00 36.38 35.15 2gqj s VAL 32 CO 0.56 -1.04 0.32 1.33 -0.31 0.00 0.00 175.10 175.96 2gqj n VAL 33 N 3.20 0.00 -1.87 1.32 0.24 -1.26 -4.89 118.33 115.06 2gqj n VAL 33 Ca 0.18 -0.99 -0.37 0.00 -2.04 0.00 0.00 64.34 61.12 2gqj n VAL 33 Cb 0.40 0.65 0.05 0.00 -1.47 0.00 0.00 33.84 33.46 2gqj n VAL 33 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2gqj s THR 34 N -2.63 2.31 0.30 3.34 2.01 -1.26 -4.86 115.64 114.84 2gqj s THR 34 Ca 0.16 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.42 2gqj s THR 34 Cb -0.01 -3.08 0.29 0.00 0.01 0.00 0.00 72.50 69.71 2gqj s THR 34 CO 0.12 -0.03 1.73 0.03 -0.69 0.00 0.00 174.62 175.77 2gqj h ARG 35 N 0.87 0.55 -0.12 4.92 3.08 -2.01 0.39 114.38 122.06 2gqj h ARG 35 Ca -0.51 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.41 2gqj h ARG 35 Cb 1.31 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 2gqj h ARG 35 CO 0.55 0.37 -0.35 0.87 -1.07 0.00 0.00 179.97 180.34 2gqj h LYS 36 N 0.57 0.25 -5.73 0.04 1.57 -1.99 -3.44 116.57 107.83 2gqj h LYS 36 Ca 0.58 -0.10 -0.43 0.00 -1.87 0.00 0.00 60.65 58.83 2gqj h LYS 36 Cb 1.03 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.27 2gqj h LYS 36 CO -0.46 0.57 -0.65 0.25 -0.57 0.00 0.00 179.45 178.59 2gqj n THR 37 N -4.08 -1.43 0.00 -0.16 -2.24 0.14 -4.74 114.28 101.77 2gqj n THR 37 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2gqj n THR 37 Cb 0.43 -2.32 0.00 0.00 -2.10 0.00 0.00 70.33 66.34 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 -4.13 0.02 0.06 3.22 7.99 -1.26 -4.36 117.00 118.53 2gqj n LEU 38 Ca 0.00 0.01 -0.03 0.00 -0.01 0.00 0.00 56.01 55.98 2gqj n LEU 38 Cb 0.54 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.77 2gqj n LEU 38 CO 0.62 -0.25 -0.01 -0.37 -1.51 0.00 0.00 177.39 175.87 2gqj h VAL 39 N 0.00 1.03 0.00 4.08 -1.51 -1.96 -3.29 116.25 114.59 2gqj h VAL 39 Ca 0.00 -2.62 -0.24 0.00 -1.23 0.00 0.00 66.70 62.61 2gqj h VAL 39 Cb 0.53 2.46 -0.04 0.00 -2.13 0.00 0.00 31.29 32.10 2gqj h VAL 39 CO 0.00 0.58 -1.99 0.61 -1.23 0.00 0.00 177.57 175.55 2gqj n GLY 40 N 1.37 -0.74 0.27 5.19 0.00 -1.26 -4.08 105.19 105.94 2gqj n GLY 40 Ca -0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.05 0.99 5.85 -1.76 0.49 115.31 121.48 2gqj h LEU 41 Ca -0.35 -0.16 -0.26 0.00 0.84 0.00 0.00 57.88 57.95 2gqj h LEU 41 Cb 1.76 -0.17 0.02 0.00 0.37 0.00 0.00 40.66 42.64 2gqj h LEU 41 CO 0.02 0.75 -1.00 0.11 -0.34 0.00 0.00 178.44 177.98 2gqj h LYS 42 N 0.62 0.67 0.00 1.25 1.57 -1.79 -1.44 116.57 117.46 2gqj h LYS 42 Ca 0.12 -0.70 -0.17 0.00 -1.87 0.00 0.00 60.65 58.03 2gqj h LYS 42 Cb 0.47 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2gqj h LYS 42 CO 0.02 1.29 -0.81 0.87 -0.57 0.00 0.00 179.45 180.25 2gqj h LYS 43 N 0.39 0.04 -0.00 3.15 1.57 -1.67 -3.20 116.57 116.85 2gqj h LYS 43 Ca -0.11 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2gqj h LYS 43 Cb 1.65 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.97 2gqj h LYS 43 CO 0.19 0.83 -0.00 1.25 -0.57 0.00 0.00 179.45 181.15 2gqj h HIS 44 N 0.02 0.00 -0.71 -1.35 2.76 -0.05 -3.22 115.15 112.60 2gqj h HIS 44 Ca -0.02 -0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.36 2gqj h HIS 44 Cb 1.43 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.36 2gqj h HIS 44 CO 0.01 0.78 0.59 0.00 -1.30 0.00 0.00 177.93 178.01 2gqj h MET 45 N -0.78 0.00 -0.58 5.26 -0.00 -1.35 -1.55 114.93 115.93 2gqj h MET 45 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 59.70 59.80 2gqj h MET 45 Cb 0.79 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.27 2gqj h MET 45 CO 0.00 0.00 -0.33 0.93 -0.00 0.00 0.00 176.91 177.51 2gqj h GLU 46 N 0.00 -0.16 0.13 -0.10 4.39 -1.56 -2.63 114.58 114.65 2gqj h GLU 46 Ca 0.34 0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.71 2gqj h GLU 46 Cb 1.52 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.19 2gqj h GLU 46 CO -0.00 -0.10 -1.79 -0.39 -1.16 0.00 0.00 179.01 175.56 2gqj h VAL 47 N -0.16 0.86 -0.21 3.13 -1.51 -1.53 -3.36 116.25 113.46 2gqj h VAL 47 Ca 0.23 -2.53 0.02 0.00 -1.23 0.00 0.00 66.70 63.19 2gqj h VAL 47 Cb 0.55 2.63 -0.02 0.00 -2.13 0.00 0.00 31.29 32.31 2gqj h VAL 47 CO -0.67 0.82 -0.12 0.00 -1.23 0.00 0.00 177.57 176.37 2gqj h GLN 49 N 0.00 0.68 -0.54 0.00 4.15 -1.71 0.34 115.11 118.03 2gqj h GLN 49 Ca 0.03 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.45 2gqj h GLN 49 Cb 0.08 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 2gqj h GLN 49 CO -0.19 0.45 0.36 -0.22 -1.93 0.00 0.00 178.83 177.29 2gqj h LYS 50 N 0.70 0.58 0.25 1.69 3.64 0.57 -2.58 116.57 121.42 2gqj h LYS 50 Ca 0.40 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2gqj h LYS 50 Cb 0.45 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2gqj h LYS 50 CO -0.29 0.38 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.09 2gqj h LEU 51 N 0.60 -0.29 -0.94 5.20 3.38 0.20 -3.08 115.31 120.39 2gqj h LEU 51 Ca 0.22 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.51 2gqj h LEU 51 Cb 0.13 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 40.78 2gqj h LEU 51 CO -0.06 0.14 0.22 0.00 0.09 0.00 0.00 178.44 178.84 2gqj n GLN 52 N -4.85 -0.07 -0.03 1.13 1.13 -0.37 0.10 117.38 114.43 2gqj n GLN 52 Ca -0.04 1.36 -0.11 0.00 -1.94 0.00 0.00 57.00 56.26 2gqj n GLN 52 Cb 0.13 -2.27 -0.05 0.00 0.11 0.00 0.00 30.24 28.16 2gqj n GLN 52 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 2gqj h ASP 53 N 0.00 0.17 -0.01 1.08 3.58 -1.55 0.20 116.42 119.89 2gqj h ASP 53 Ca 0.66 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 58.00 2gqj h ASP 53 Cb 1.55 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.55 2gqj h ASP 53 CO -0.82 0.24 -0.04 0.00 -2.88 0.00 0.00 179.24 175.75 2gqj h ALA 54 N 0.94 -0.03 -0.77 -0.78 0.00 0.75 -2.58 119.26 116.78 2gqj h ALA 54 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2gqj h ALA 54 Cb 0.11 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2gqj h ALA 54 CO -0.01 -0.53 0.45 -0.07 0.00 0.00 0.00 179.25 179.10 2gqj h LEU 55 N -0.06 0.93 -9.25 0.00 -0.00 -0.95 -3.41 115.31 102.58 2gqj h LEU 55 Ca 0.02 -0.06 -0.55 0.00 -0.00 0.00 0.00 57.88 57.29 2gqj h LEU 55 Cb 0.08 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.49 2gqj h LEU 55 CO -0.05 0.73 1.04 -0.75 -0.00 0.00 0.00 178.44 179.41 2gqj s LYS 56 N -5.77 4.20 1.18 1.13 2.20 0.05 -4.16 119.74 118.58 2gqj s LYS 56 Ca -0.11 2.07 -0.14 0.00 -0.36 0.00 0.00 55.97 57.43 2gqj s LYS 56 Cb 0.17 -3.91 0.29 0.00 -1.51 0.00 0.00 37.83 32.87 2gqj s LYS 56 CO 0.80 -0.80 1.02 0.00 -0.36 0.00 0.00 175.35 176.01 2gqj n GLN 58 N -4.94 0.35 -0.20 0.00 10.64 -1.26 -3.56 117.38 118.41 2gqj n GLN 58 Ca 0.04 0.01 -0.09 0.00 -1.83 0.00 0.00 57.00 55.13 2gqj n GLN 58 Cb 0.55 -1.05 0.02 0.00 -0.86 0.00 0.00 30.24 28.90 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2gqj h HIS 59 N 0.00 1.02 0.00 2.61 3.86 -2.00 -3.28 115.15 117.36 2gqj h HIS 59 Ca -0.05 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2gqj h HIS 59 Cb 1.09 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.28 2gqj h HIS 59 CO 0.00 0.90 -1.49 0.00 0.86 0.00 0.00 177.93 178.21 2gqj n ARG 61 N -1.88 -5.28 -3.35 0.00 5.12 -1.23 -5.03 116.66 105.01 2gqj n ARG 61 Ca -0.02 0.73 -0.19 0.00 -1.93 0.00 0.00 57.85 56.44 2gqj n ARG 61 Cb 0.33 -5.38 -0.01 0.00 -1.16 0.00 0.00 32.46 26.23 2gqj n ARG 61 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2gqj s LYS 62 N -5.06 2.74 -0.03 5.56 -0.14 -1.26 -4.84 119.74 116.71 2gqj s LYS 62 Ca 0.04 -1.33 0.01 0.00 -1.36 0.00 0.00 55.97 53.33 2gqj s LYS 62 Cb -0.01 -2.59 -0.03 0.00 -1.68 0.00 0.00 37.83 33.52 2gqj s LYS 62 CO 0.63 -0.17 -0.02 -1.14 -0.76 0.00 0.00 175.35 173.89 2gqj s GLN 63 N -4.21 2.79 -0.05 1.68 -0.44 -1.26 -1.45 119.66 116.71 2gqj s GLN 63 Ca 0.50 -0.58 -0.08 0.00 -2.50 0.00 0.00 55.36 52.71 2gqj s GLN 63 Cb -0.07 -2.66 0.01 0.00 -1.64 0.00 0.00 33.01 28.66 2gqj s GLN 63 CO 0.30 0.64 0.19 -0.06 0.50 0.00 0.00 175.29 176.86 2gqj s PHE 64 N -1.00 -0.14 -0.24 1.67 0.40 -1.26 -4.97 117.98 112.45 2gqj s PHE 64 Ca 0.17 0.31 0.10 0.00 -0.60 0.00 0.00 56.93 56.91 2gqj s PHE 64 Cb -0.11 0.04 0.43 0.00 0.51 0.00 0.00 43.02 43.89 2gqj s PHE 64 CO 0.07 -0.18 1.21 1.17 0.70 0.00 0.00 175.22 178.19 2gqj n LYS 65 N 2.38 2.25 -3.43 0.44 3.00 -1.26 -4.63 118.16 116.91 2gqj n LYS 65 Ca -0.16 -3.59 0.01 0.00 -0.00 0.00 0.00 58.31 54.57 2gqj n LYS 65 Cb 0.57 -1.83 -0.04 0.00 0.00 0.00 0.00 35.03 33.74 2gqj n LYS 65 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2gqj s SER 66 N -3.35 -0.79 0.22 3.14 0.01 -1.26 -5.04 113.70 106.62 2gqj s SER 66 Ca 0.42 0.98 -0.09 0.00 1.31 0.00 0.00 55.95 58.58 2gqj s SER 66 Cb 0.38 1.86 0.34 0.00 0.21 0.00 0.00 66.02 68.81 2gqj s SER 66 CO -0.03 -0.15 1.70 0.11 0.41 0.00 0.00 173.24 175.28 2gqj h LYS 67 N 7.72 0.27 -0.97 12.44 1.57 -1.99 0.39 116.57 135.99 2gqj h LYS 67 Ca -0.17 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.73 2gqj h LYS 67 Cb 1.12 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.29 2gqj h LYS 67 CO 0.09 0.18 0.62 0.00 -0.57 0.00 0.00 179.45 179.76 2gqj h ALA 68 N 1.51 1.62 -0.05 3.86 0.00 -2.00 -1.58 119.26 122.62 2gqj h ALA 68 Ca 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2gqj h ALA 68 Cb 0.52 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2gqj h ALA 68 CO -0.42 0.12 -0.01 0.78 0.00 0.00 0.00 179.25 179.72 2gqj h GLY 69 N 0.90 0.11 0.71 0.00 0.00 -1.36 -2.60 103.07 100.83 2gqj h GLY 69 Ca 0.49 -0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.82 2gqj h GLY 69 CO -0.26 0.08 0.61 -2.00 0.00 0.00 0.00 176.54 174.97 2gqj h LEU 70 N -0.23 0.91 -0.18 3.11 5.85 -0.81 0.13 115.31 124.09 2gqj h LEU 70 Ca 0.01 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2gqj h LEU 70 Cb 0.39 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2gqj h LEU 70 CO 0.00 0.55 0.08 0.78 -0.34 0.00 0.00 178.44 179.51 2gqj h ASN 71 N 1.01 0.25 -0.52 1.25 -0.26 -1.24 0.25 115.58 116.33 2gqj h ASN 71 Ca 0.43 -0.15 -0.10 0.00 -0.56 0.00 0.00 56.30 55.92 2gqj h ASN 71 Cb 0.32 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 2gqj h ASN 71 CO -0.18 0.32 -0.06 0.22 -1.06 0.00 0.00 177.43 176.67 2gqj h TYR 72 N 0.15 1.08 -0.18 1.19 3.20 -0.99 -2.53 116.97 118.90 2gqj h TYR 72 Ca 0.06 -0.20 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 2gqj h TYR 72 Cb 0.15 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2gqj h TYR 72 CO -0.02 0.99 -0.06 1.25 -1.64 0.00 0.00 178.16 178.68 2gqj h HIS 73 N 0.89 0.41 -0.25 -3.82 -0.00 -0.59 0.39 115.15 112.17 2gqj h HIS 73 Ca 0.15 -0.09 0.05 0.00 -0.00 0.00 0.00 60.37 60.48 2gqj h HIS 73 Cb 0.60 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 2gqj h HIS 73 CO 0.04 0.64 0.18 1.15 -0.00 0.00 0.00 177.93 179.94 2gqj h THR 74 N 0.06 0.93 0.05 6.26 2.02 -0.43 0.67 112.91 122.47 2gqj h THR 74 Ca 0.04 -0.04 -0.31 0.00 0.77 0.00 0.00 66.41 66.87 2gqj h THR 74 Cb 0.52 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 2gqj h THR 74 CO 0.02 0.02 -1.77 0.00 0.37 0.00 0.00 175.52 174.16 2gqj h MET 75 N 0.10 0.10 0.16 6.66 3.00 -1.28 -2.94 114.93 120.73 2gqj h MET 75 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 59.70 59.63 2gqj h MET 75 Cb 0.33 0.07 0.00 0.00 0.00 0.00 0.00 31.60 32.00 2gqj h MET 75 CO -0.01 0.78 -0.07 0.00 0.00 0.00 0.00 176.91 177.60 2gqj h ALA 76 N 0.67 -0.22 0.24 -3.00 0.00 0.52 -3.39 119.26 114.08 2gqj h ALA 76 Ca -0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2gqj h ALA 76 Cb 2.02 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.89 2gqj h ALA 76 CO 0.09 -0.21 -0.12 0.93 0.00 0.00 0.00 179.25 179.95 2gqj h GLU 77 N -0.98 -0.32 0.00 0.00 4.39 0.12 -3.47 114.58 114.33 2gqj h GLU 77 Ca -0.02 0.02 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 2gqj h GLU 77 Cb 0.16 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2gqj h GLU 77 CO 0.04 -0.01 -0.17 0.72 -1.16 0.00 0.00 179.01 178.42 2gqj n HIS 78 N -5.10 -0.95 -3.14 4.33 8.25 -1.11 -4.77 115.22 112.71 2gqj n HIS 78 Ca -0.09 -1.48 -0.14 0.00 -0.26 0.00 0.00 57.72 55.74 2gqj n HIS 78 Cb 0.24 -0.29 0.05 0.00 1.12 0.00 0.00 29.99 31.11 2gqj n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2gqj n SER 79 N -1.91 -4.25 -3.59 0.41 2.88 -1.21 -3.75 113.62 102.20 2gqj n SER 79 Ca -0.01 -0.35 -0.02 0.00 -1.33 0.00 0.00 58.87 57.15 2gqj n SER 79 Cb 0.40 -3.41 -0.06 0.00 -0.75 0.00 0.00 64.21 60.40 2gqj n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gqj s ALA 80 N -3.21 -2.25 0.65 -1.46 0.00 -1.26 -4.93 121.76 109.30 2gqj s ALA 80 Ca 0.30 2.24 -0.18 0.00 0.00 0.00 0.00 51.96 54.33 2gqj s ALA 80 Cb -0.13 -1.74 -0.13 0.00 0.00 0.00 0.00 23.12 21.12 2gqj s ALA 80 CO 0.47 -0.59 -0.17 0.36 0.00 0.00 0.00 175.76 175.82 2gqj n LYS 81 N 4.43 0.06 -1.15 0.00 0.00 -1.26 -4.93 118.16 115.31 2gqj n LYS 81 Ca -0.16 0.03 -0.29 0.00 -0.00 0.00 0.00 58.31 57.89 2gqj n LYS 81 Cb 0.55 -1.14 0.19 0.00 -0.00 0.00 0.00 35.03 34.64 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 -1.51 0.13 0.03 -1.58 0.04 -1.26 -4.98 135.00 125.87 2gqj s PRO 82 Ca 0.55 0.42 -0.24 0.00 0.04 0.00 0.00 61.00 61.76 2gqj s PRO 82 Cb -0.40 -1.71 -0.17 0.00 0.04 0.00 0.00 34.50 32.26 2gqj s PRO 82 CO 0.69 -2.91 1.48 0.77 0.04 0.00 0.00 177.00 177.07 2gqj h SER 83 N -2.02 0.03 -1.31 6.66 0.02 -1.99 -3.43 113.55 111.51 2gqj h SER 83 Ca -0.54 -0.27 -0.74 0.00 -0.84 0.00 0.00 61.79 59.40 2gqj h SER 83 Cb 1.33 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2gqj h SER 83 CO 0.55 0.29 1.00 0.47 -1.14 0.00 0.00 176.83 178.00 2gqj n ASP 84 N -4.94 2.14 -0.22 3.07 9.92 -1.26 -4.82 116.55 120.44 2gqj n ASP 84 Ca -0.07 0.96 0.02 0.00 -0.53 0.00 0.00 54.79 55.16 2gqj n ASP 84 Cb 0.16 -1.12 0.13 0.00 -0.64 0.00 0.00 41.12 39.65 2gqj n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gqj h ALA 85 N 7.95 0.82 -2.81 2.24 0.00 -2.02 -3.39 119.26 122.04 2gqj h ALA 85 Ca -0.41 0.12 -0.60 0.00 0.00 0.00 0.00 54.91 54.02 2gqj h ALA 85 Cb 1.33 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 2gqj h ALA 85 CO 0.98 -0.26 -0.23 -1.83 0.00 0.00 0.00 179.25 177.91 2gqj s GLU 86 N -6.08 4.04 -0.09 0.00 -1.05 -1.26 -5.08 118.70 109.18 2gqj s GLU 86 Ca -0.13 0.33 -0.12 0.00 -0.15 0.00 0.00 54.97 54.90 2gqj s GLU 86 Cb 0.18 -3.30 0.03 0.00 -0.44 0.00 0.00 34.13 30.60 2gqj s GLU 86 CO 0.75 0.50 0.31 0.00 0.95 0.00 0.00 175.26 177.77 2gqj s ALA 87 N -0.44 -0.77 0.19 -0.84 0.00 -1.26 -5.09 121.76 113.55 2gqj s ALA 87 Ca 0.22 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 2gqj s ALA 87 Cb -0.15 -0.34 -0.17 0.00 0.00 0.00 0.00 23.12 22.46 2gqj s ALA 87 CO 0.10 -0.18 0.72 0.43 0.00 0.00 0.00 175.76 176.83 2gqj n SER 88 N 2.43 -0.46 -4.69 0.00 7.64 -1.26 -4.78 113.62 112.49 2gqj n SER 88 Ca -0.16 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.45 2gqj n SER 88 Cb 0.57 -1.03 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 2gqj n SER 88 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2gqj s GLU 89 N -0.92 4.14 0.00 1.43 -1.05 -1.26 -4.66 118.70 116.37 2gqj s GLU 89 Ca 0.67 2.58 0.00 0.00 -0.15 0.00 0.00 54.97 58.07 2gqj s GLU 89 Cb -0.93 -3.54 0.00 0.00 -0.44 0.00 0.00 34.13 29.22 2gqj s GLU 89 CO 0.56 -0.83 0.00 0.41 0.95 0.00 0.00 175.26 176.36 2gqj n GLY 90 N 4.19 -0.46 0.00 -3.83 0.00 -1.26 -5.19 105.19 98.65 2gqj n GLY 90 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 4.03 3.92 -0.02 0.00 -1.26 -5.17 105.19 106.69 2gqj n GLY 91 Ca 0.00 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 2gqj n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gqj s GLU 92 N -0.86 3.57 -0.35 1.61 2.02 -1.26 -5.08 118.70 118.35 2gqj s GLU 92 Ca 0.00 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 54.82 2gqj s GLU 92 Cb 0.00 -2.77 0.10 0.00 0.10 0.00 0.00 34.13 31.56 2gqj s GLU 92 CO 0.00 0.34 0.08 0.45 0.02 0.00 0.00 175.26 176.14 2gqj s SER 93 N -3.10 4.87 0.00 -0.19 0.15 -1.26 -5.04 113.70 109.14 2gqj s SER 93 Ca 0.41 -2.06 0.00 0.00 0.70 0.00 0.00 55.95 54.99 2gqj s SER 93 Cb -0.11 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 2gqj s SER 93 CO 0.29 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2gqj n GLY 94 N 4.35 4.69 3.77 9.45 0.00 -1.26 -5.16 105.19 121.03 2gqj n GLY 94 Ca 0.01 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 4.63 2.69 -0.17 1.61 0.04 -1.26 -5.06 135.00 137.47 2gqj s PRO 95 Ca 0.00 1.35 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 2gqj s PRO 95 Cb 0.00 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.69 2gqj s PRO 95 CO 0.00 -1.33 0.27 0.45 0.04 0.00 0.00 177.00 176.43 2gqj s SER 96 N -2.75 0.69 0.09 6.66 0.15 -1.26 -5.05 113.70 112.23 2gqj s SER 96 Ca 0.66 0.25 -0.33 0.00 0.70 0.00 0.00 55.95 57.23 2gqj s SER 96 Cb -0.20 0.66 -0.16 0.00 -1.71 0.00 0.00 66.02 64.62 2gqj s SER 96 CO 0.44 -0.28 1.61 -1.28 1.20 0.00 0.00 173.24 174.93 2gqj h SER 97 N 8.28 -0.98 0.00 5.45 0.87 -2.06 -3.56 113.55 121.55 2gqj h SER 97 Ca -0.16 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2gqj h SER 97 Cb 1.13 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2gqj h SER 97 CO 0.21 -0.56 0.00 0.61 -0.53 0.00 0.00 176.83 176.56