#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 -0.05 0.41 1.61 0.15 -1.26 -5.16 113.70 109.40 2gqj s SER 2 Ca 0.00 0.74 0.08 0.00 0.70 0.00 0.00 55.95 57.46 2gqj s SER 2 Cb 0.00 0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 65.11 2gqj s SER 2 CO 0.00 -0.22 0.27 -0.44 1.20 0.00 0.00 173.24 174.05 2gqj s SER 3 N 2.13 4.73 -0.48 5.45 0.01 -1.26 -5.10 113.70 119.18 2gqj s SER 3 Ca -0.03 -0.90 -0.10 0.00 1.31 0.00 0.00 55.95 56.23 2gqj s SER 3 Cb -0.11 -0.55 0.12 0.00 0.21 0.00 0.00 66.02 65.69 2gqj s SER 3 CO -0.10 -0.57 0.36 -0.83 0.41 0.00 0.00 173.24 172.51 2gqj s GLY 4 N -4.00 2.04 -0.81 3.44 0.00 -1.26 -5.03 107.32 101.70 2gqj s GLY 4 Ca 0.44 -2.51 -0.21 0.00 0.00 0.00 0.00 44.72 42.44 2gqj s GLY 4 CO 0.25 1.11 1.07 -0.56 0.00 0.00 0.00 173.10 174.98 2gqj s SER 5 N 2.78 6.41 -0.04 1.64 0.01 -1.26 -4.98 113.70 118.27 2gqj s SER 5 Ca 0.05 -1.53 -0.04 0.00 1.31 0.00 0.00 55.95 55.74 2gqj s SER 5 Cb -0.27 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.56 2gqj s SER 5 CO 0.00 -1.26 0.10 -0.44 0.41 0.00 0.00 173.24 172.05 2gqj s SER 6 N 3.75 -0.11 -0.43 2.44 0.01 -1.26 -5.09 113.70 113.01 2gqj s SER 6 Ca 0.29 0.21 0.07 0.00 1.31 0.00 0.00 55.95 57.83 2gqj s SER 6 Cb -0.10 0.21 0.26 0.00 0.21 0.00 0.00 66.02 66.60 2gqj s SER 6 CO -0.01 -0.04 0.75 0.61 0.41 0.00 0.00 173.24 174.96 2gqj n GLY 7 N 3.10 1.58 0.01 3.44 0.00 -1.26 -4.95 105.19 107.12 2gqj n GLY 7 Ca -0.13 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.22 2gqj n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gqj n PRO 8 N 1.29 0.02 0.00 1.61 -0.04 -1.26 -4.91 135.00 131.72 2gqj n PRO 8 Ca 0.15 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2gqj n PRO 8 Cb 0.60 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2gqj n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gqj n GLY 9 N -0.04 2.39 0.00 0.55 0.00 -1.26 -5.09 105.19 101.74 2gqj n GLY 9 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.86 0.11 -0.02 0.00 -1.26 -4.88 105.19 98.28 2gqj n GLY 10 Ca 0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 3.11 0.26 -2.26 1.61 0.13 -2.06 -3.39 132.00 129.40 2gqj h PRO 11 Ca 0.00 -0.14 -0.58 0.00 -0.87 0.00 0.00 66.00 64.41 2gqj h PRO 11 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.74 2gqj h PRO 11 CO 0.00 0.67 -0.91 0.39 -0.23 0.00 0.00 178.00 177.92 2gqj n GLU 12 N -4.64 1.06 -0.02 0.86 -0.58 -1.26 -4.96 120.64 111.10 2gqj n GLU 12 Ca -0.07 -3.64 -0.02 0.00 -0.42 0.00 0.00 57.16 53.01 2gqj n GLU 12 Cb 0.33 -1.67 -0.01 0.00 -0.57 0.00 0.00 31.44 29.53 2gqj n GLU 12 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2gqj n GLU 13 N 1.74 0.15 -0.16 3.49 -0.58 -1.26 -3.67 120.64 120.35 2gqj n GLU 13 Ca 0.25 0.25 -0.12 0.00 -0.42 0.00 0.00 57.16 57.13 2gqj n GLU 13 Cb 0.47 -0.96 -0.00 0.00 -0.57 0.00 0.00 31.44 30.38 2gqj n GLU 13 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2gqj h GLN 14 N -0.31 0.97 -0.46 3.49 4.20 -1.93 0.49 115.11 121.56 2gqj h GLN 14 Ca 0.00 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.28 2gqj h GLN 14 Cb 0.20 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2gqj h GLN 14 CO 0.00 1.09 0.23 -1.49 -0.67 0.00 0.00 178.83 177.99 2gqj h TRP 15 N 0.82 0.66 0.00 2.96 6.55 -1.93 -1.75 115.95 123.26 2gqj h TRP 15 Ca 0.11 -0.03 -0.14 0.00 0.95 0.00 0.00 58.89 59.78 2gqj h TRP 15 Cb 0.79 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.86 2gqj h TRP 15 CO 0.05 0.52 -0.65 0.37 -1.05 0.00 0.00 178.44 177.68 2gqj h GLN 16 N 0.60 0.00 -0.48 0.49 4.15 -1.62 -2.82 115.11 115.43 2gqj h GLN 16 Ca 0.16 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 2gqj h GLN 16 Cb 0.10 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2gqj h GLN 16 CO -0.02 0.65 0.05 0.00 -1.93 0.00 0.00 178.83 177.58 2gqj h ARG 17 N 0.00 0.82 0.00 1.69 3.08 -0.53 -2.68 114.38 116.76 2gqj h ARG 17 Ca -0.01 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 2gqj h ARG 17 Cb 1.23 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 2gqj h ARG 17 CO 0.08 0.84 -0.22 0.00 -1.07 0.00 0.00 179.97 179.60 2gqj h ALA 18 N 0.95 0.95 -0.30 0.04 0.00 -1.33 -1.01 119.26 118.55 2gqj h ALA 18 Ca 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2gqj h ALA 18 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2gqj h ALA 18 CO 0.01 0.28 0.08 0.82 0.00 0.00 0.00 179.25 180.44 2gqj h ILE 19 N 0.00 1.22 0.12 0.00 2.04 -1.21 0.16 117.51 119.83 2gqj h ILE 19 Ca -0.00 -0.71 -0.31 0.00 1.00 0.00 0.00 64.86 64.83 2gqj h ILE 19 Cb 0.88 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2gqj h ILE 19 CO 0.03 0.24 -1.60 1.12 0.00 0.00 0.00 178.15 177.94 2gqj h HIS 20 N 0.33 0.44 0.36 1.37 2.07 -1.52 -2.53 115.15 115.67 2gqj h HIS 20 Ca 0.10 -0.32 -0.02 0.00 -2.85 0.00 0.00 60.37 57.27 2gqj h HIS 20 Cb 0.28 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.25 2gqj h HIS 20 CO 0.01 1.41 -0.17 0.93 -3.07 0.00 0.00 177.93 177.04 2gqj h GLU 21 N 0.07 -0.46 0.00 5.12 5.08 -1.20 -3.41 114.58 119.77 2gqj h GLU 21 Ca -0.27 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2gqj h GLU 21 Cb 2.02 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.38 2gqj h GLU 21 CO 0.15 -0.16 0.00 0.54 -1.00 0.00 0.00 179.01 178.54 2gqj n ARG 22 N -5.18 0.00 0.04 2.33 1.74 0.50 -5.06 116.66 111.03 2gqj n ARG 22 Ca -0.10 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2gqj n ARG 22 Cb 0.27 -0.54 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 2gqj n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gqj n GLY 23 N 1.74 -1.03 3.32 -0.13 0.00 -0.73 -5.00 105.19 103.37 2gqj n GLY 23 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.00 1.07 -0.70 1.61 -1.05 -1.24 -4.50 118.70 111.90 2gqj s GLU 24 Ca 0.00 -0.90 0.02 0.00 -0.15 0.00 0.00 54.97 53.94 2gqj s GLU 24 Cb 0.00 0.42 0.17 0.00 -0.44 0.00 0.00 34.13 34.28 2gqj s GLU 24 CO 0.00 -0.40 0.50 0.00 0.95 0.00 0.00 175.26 176.31 2gqj s ALA 25 N -3.87 3.77 0.49 -0.84 0.00 -1.26 -4.57 121.76 115.49 2gqj s ALA 25 Ca 0.07 -3.65 -0.18 0.00 0.00 0.00 0.00 51.96 48.20 2gqj s ALA 25 Cb 0.03 -2.37 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 2gqj s ALA 25 CO -0.08 -2.09 0.99 0.14 0.00 0.00 0.00 175.76 174.71 2gqj s VAL 26 N -1.01 4.34 -0.43 0.00 -7.23 -1.26 -4.67 120.40 110.14 2gqj s VAL 26 Ca 0.23 1.26 -0.44 0.00 -1.81 0.00 0.00 61.98 61.21 2gqj s VAL 26 Cb -0.12 -3.62 -0.18 0.00 0.56 0.00 0.00 36.38 33.02 2gqj s VAL 26 CO -0.10 -0.51 1.71 0.00 -0.31 0.00 0.00 175.10 175.89 2gqj n PRO 28 N 4.87 0.49 -0.09 0.00 -0.04 -1.26 0.11 135.00 139.08 2gqj n PRO 28 Ca 0.32 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.59 2gqj n PRO 28 Cb 0.01 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.69 1.00 -0.00 0.52 -1.04 -1.26 -4.85 114.28 107.97 2gqj n THR 29 Ca 0.04 -0.27 -0.00 0.00 -2.04 0.00 0.00 64.05 61.78 2gqj n THR 29 Cb 0.02 -1.68 -0.01 0.00 -1.82 0.00 0.00 70.33 66.84 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 -1.92 -2.87 -3.60 0.00 3.02 0.31 -4.97 115.26 105.21 2gqj n ASN 31 Ca -0.02 -0.06 -0.28 0.00 -0.03 0.00 0.00 54.58 54.20 2gqj n ASN 31 Cb 0.42 -1.95 -0.16 0.00 -0.61 0.00 0.00 39.78 37.47 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 -2.59 0.06 0.21 2.41 -7.23 -1.26 -4.72 120.40 107.27 2gqj s VAL 32 Ca 0.06 -0.54 -0.10 0.00 -1.81 0.00 0.00 61.98 59.59 2gqj s VAL 32 Cb -0.03 -0.87 0.04 0.00 0.56 0.00 0.00 36.38 36.08 2gqj s VAL 32 CO 0.08 -0.48 0.52 1.33 -0.31 0.00 0.00 175.10 176.23 2gqj n VAL 33 N 5.21 0.00 -1.14 1.32 0.24 -1.26 -4.81 118.33 117.89 2gqj n VAL 33 Ca -0.06 -0.54 -0.38 0.00 -2.04 0.00 0.00 64.34 61.31 2gqj n VAL 33 Cb 0.45 0.57 -0.02 0.00 -1.47 0.00 0.00 33.84 33.38 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 -0.36 1.25 -0.34 3.34 -1.04 -1.26 -4.65 114.28 111.22 2gqj n THR 34 Ca -0.04 -0.42 0.22 0.00 -2.04 0.00 0.00 64.05 61.76 2gqj n THR 34 Cb 0.36 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 69.33 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 0.63 0.42 0.00 -2.82 -0.00 -2.02 0.90 114.38 111.49 2gqj h ARG 35 Ca -0.26 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.98 59.15 2gqj h ARG 35 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 31.08 2gqj h ARG 35 CO 0.45 0.28 -0.47 0.87 0.00 0.00 0.00 179.97 181.09 2gqj h LYS 36 N 0.43 0.00 -6.32 0.04 6.56 -1.99 -3.48 116.57 111.82 2gqj h LYS 36 Ca 0.68 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 59.80 2gqj h LYS 36 Cb 1.51 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 33.14 2gqj h LYS 36 CO -0.49 0.15 -0.80 0.25 -2.06 0.00 0.00 179.45 176.50 2gqj n THR 37 N -3.02 -2.66 0.00 -0.16 -2.24 0.31 -4.45 114.28 102.08 2gqj n THR 37 Ca 0.01 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2gqj n THR 37 Cb 0.61 -2.93 0.00 0.00 -2.10 0.00 0.00 70.33 65.91 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 -4.52 0.06 -0.04 3.22 -0.00 -1.26 -4.50 117.00 109.96 2gqj n LEU 38 Ca -0.08 0.01 -0.13 0.00 -0.00 0.00 0.00 56.01 55.81 2gqj n LEU 38 Cb 0.58 -0.02 -0.08 0.00 -0.00 0.00 0.00 43.42 43.90 2gqj n LEU 38 CO 0.75 -0.52 0.59 -0.37 -0.00 0.00 0.00 177.39 177.84 2gqj h VAL 39 N 0.00 1.37 -0.02 1.96 -1.51 -1.97 -3.15 116.25 112.93 2gqj h VAL 39 Ca 0.00 -1.34 -0.16 0.00 -1.23 0.00 0.00 66.70 63.98 2gqj h VAL 39 Cb 0.00 2.01 -0.02 0.00 -2.13 0.00 0.00 31.29 31.16 2gqj h VAL 39 CO 0.00 0.38 -0.71 1.23 -1.23 0.00 0.00 177.57 177.24 2gqj h GLY 40 N -0.15 0.13 0.91 5.19 0.00 -1.94 -3.09 103.07 104.13 2gqj h GLY 40 Ca 0.01 -0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.22 2gqj h GLY 40 CO 0.03 0.17 0.54 -2.00 0.00 0.00 0.00 176.54 175.28 2gqj h LEU 41 N 0.08 0.79 0.29 3.11 5.85 -1.78 0.52 115.31 124.16 2gqj h LEU 41 Ca -0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2gqj h LEU 41 Cb 1.26 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2gqj h LEU 41 CO 0.10 0.50 -0.14 0.11 -0.34 0.00 0.00 178.44 178.67 2gqj h LYS 42 N 0.89 -0.38 -0.13 1.25 1.57 -1.52 -1.67 116.57 116.59 2gqj h LYS 42 Ca 0.36 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.20 2gqj h LYS 42 Cb 0.26 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2gqj h LYS 42 CO -0.13 -0.25 0.17 0.87 -0.57 0.00 0.00 179.45 179.54 2gqj h LYS 43 N -0.96 0.00 0.10 3.15 6.56 -1.46 -2.82 116.57 121.15 2gqj h LYS 43 Ca -0.04 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2gqj h LYS 43 Cb 0.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2gqj h LYS 43 CO 0.07 0.00 -0.05 1.25 -2.06 0.00 0.00 179.45 178.66 2gqj h HIS 44 N 0.00 -0.12 -1.03 -1.35 -0.00 0.01 -3.28 115.15 109.38 2gqj h HIS 44 Ca 0.06 -0.00 0.30 0.00 -0.00 0.00 0.00 60.37 60.73 2gqj h HIS 44 Cb 0.40 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.81 2gqj h HIS 44 CO 0.00 -0.08 1.14 0.00 -0.00 0.00 0.00 177.93 178.99 2gqj h MET 45 N -0.61 0.00 -0.47 5.26 -0.00 -1.10 -0.18 114.93 117.83 2gqj h MET 45 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.76 2gqj h MET 45 Cb 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 31.61 2gqj h MET 45 CO 0.02 0.00 -0.43 0.93 -0.00 0.00 0.00 176.91 177.43 2gqj h GLU 46 N 0.00 -0.28 0.11 -0.10 4.39 -1.56 -2.86 114.58 114.28 2gqj h GLU 46 Ca 0.49 0.02 -0.34 0.00 0.34 0.00 0.00 59.36 59.87 2gqj h GLU 46 Cb 2.76 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 31.46 2gqj h GLU 46 CO -0.01 -0.19 -1.79 -0.39 -1.16 0.00 0.00 179.01 175.47 2gqj h VAL 47 N -0.29 0.84 -0.39 3.13 -1.51 -1.25 -3.38 116.25 113.40 2gqj h VAL 47 Ca 0.15 -2.54 0.04 0.00 -1.23 0.00 0.00 66.70 63.11 2gqj h VAL 47 Cb 0.58 2.59 -0.05 0.00 -2.13 0.00 0.00 31.29 32.28 2gqj h VAL 47 CO -0.61 0.80 -0.23 0.00 -1.23 0.00 0.00 177.57 176.30 2gqj h GLN 49 N 0.00 0.88 -0.80 0.00 5.75 -1.73 -0.63 115.11 118.58 2gqj h GLN 49 Ca 0.06 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 2gqj h GLN 49 Cb 0.16 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.47 2gqj h GLN 49 CO -0.37 0.58 0.53 -0.22 -2.65 0.00 0.00 178.83 176.70 2gqj h LYS 50 N 0.91 0.98 0.24 1.69 3.64 0.22 -2.78 116.57 121.47 2gqj h LYS 50 Ca 0.36 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2gqj h LYS 50 Cb 0.18 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2gqj h LYS 50 CO -0.18 0.65 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.47 2gqj h LEU 51 N 1.01 -0.28 -0.70 5.20 3.38 0.91 -3.07 115.31 121.77 2gqj h LEU 51 Ca 0.31 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.48 2gqj h LEU 51 Cb -0.01 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.69 2gqj h LEU 51 CO -0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.43 2gqj n GLN 52 N -3.96 -0.06 0.34 1.13 1.13 -0.35 0.87 117.38 116.48 2gqj n GLN 52 Ca -0.04 1.05 -0.17 0.00 -1.94 0.00 0.00 57.00 55.90 2gqj n GLN 52 Cb 0.13 -1.66 -0.09 0.00 0.11 0.00 0.00 30.24 28.73 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 -0.74 0.44 1.08 3.58 -1.57 0.43 116.42 119.64 2gqj h ASP 53 Ca 0.41 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.87 2gqj h ASP 53 Cb 0.82 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2gqj h ASP 53 CO -0.67 -0.51 -0.30 0.00 -2.88 0.00 0.00 179.24 174.88 2gqj h ALA 54 N -0.44 -1.10 -1.02 -0.78 0.00 0.58 -2.68 119.26 113.83 2gqj h ALA 54 Ca -0.08 -0.14 0.27 0.00 0.00 0.00 0.00 54.91 54.96 2gqj h ALA 54 Cb 0.65 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 2gqj h ALA 54 CO 0.12 -1.08 0.60 -0.07 0.00 0.00 0.00 179.25 178.82 2gqj h LEU 55 N -0.70 0.60 -9.18 0.00 3.38 -0.96 -3.39 115.31 105.06 2gqj h LEU 55 Ca -0.06 0.15 -0.56 0.00 0.09 0.00 0.00 57.88 57.49 2gqj h LEU 55 Cb 0.57 0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.40 2gqj h LEU 55 CO 0.04 0.03 1.34 1.17 0.09 0.00 0.00 178.44 181.10 2gqj n LYS 56 N -4.90 2.41 -0.37 1.13 4.81 0.14 -4.37 118.16 117.01 2gqj n LYS 56 Ca 0.28 0.81 -0.18 0.00 -0.87 0.00 0.00 58.31 58.35 2gqj n LYS 56 Cb 0.84 -3.06 0.17 0.00 0.02 0.00 0.00 35.03 33.00 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 -2.52 1.12 0.10 0.00 6.02 -1.26 -4.09 117.38 116.76 2gqj n GLN 58 Ca 0.08 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.84 2gqj n GLN 58 Cb 0.35 -0.84 -0.14 0.00 1.02 0.00 0.00 30.24 30.63 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 1.01 0.00 1.08 3.86 -2.00 -3.35 115.15 115.76 2gqj h HIS 59 Ca 0.00 -0.66 0.00 0.00 -1.16 0.00 0.00 60.37 58.55 2gqj h HIS 59 Cb 0.69 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2gqj h HIS 59 CO 0.00 1.50 -1.47 0.00 0.86 0.00 0.00 177.93 178.82 2gqj n ARG 61 N -1.88 -4.32 -4.43 0.00 5.12 -1.26 -5.00 116.66 104.90 2gqj n ARG 61 Ca -0.01 0.68 -0.24 0.00 -1.93 0.00 0.00 57.85 56.35 2gqj n ARG 61 Cb 0.39 -5.27 -0.17 0.00 -1.16 0.00 0.00 32.46 26.26 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 -5.62 1.50 0.68 5.56 2.20 -1.26 -4.85 119.74 117.95 2gqj s LYS 62 Ca 0.13 -0.33 -0.12 0.00 -0.36 0.00 0.00 55.97 55.29 2gqj s LYS 62 Cb -0.03 -1.31 0.01 0.00 -1.51 0.00 0.00 37.83 34.99 2gqj s LYS 62 CO 0.79 -0.03 1.07 -1.14 -0.36 0.00 0.00 175.35 175.69 2gqj s GLN 63 N 0.83 2.87 -0.01 4.03 -0.44 -1.26 -2.31 119.66 123.36 2gqj s GLN 63 Ca -0.12 1.11 0.04 0.00 -2.50 0.00 0.00 55.36 53.89 2gqj s GLN 63 Cb -0.15 -1.98 -0.01 0.00 -1.64 0.00 0.00 33.01 29.23 2gqj s GLN 63 CO 0.02 -1.17 -0.12 -0.06 0.50 0.00 0.00 175.29 174.46 2gqj s PHE 64 N -2.79 1.06 0.05 1.67 0.40 -1.26 -4.95 117.98 112.15 2gqj s PHE 64 Ca 0.61 -0.21 0.14 0.00 -0.60 0.00 0.00 56.93 56.88 2gqj s PHE 64 Cb -0.16 -0.68 0.25 0.00 0.51 0.00 0.00 43.02 42.94 2gqj s PHE 64 CO 0.49 -0.02 1.53 -0.22 0.70 0.00 0.00 175.22 177.70 2gqj h LYS 65 N 5.80 0.00 -3.73 0.44 3.64 -1.97 -3.43 116.57 117.32 2gqj h LYS 65 Ca -0.33 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.57 2gqj h LYS 65 Cb 1.17 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.60 2gqj h LYS 65 CO 0.49 0.57 -0.77 -1.12 -2.27 0.00 0.00 179.45 176.34 2gqj s SER 66 N -6.54 2.20 0.56 4.20 0.01 -1.26 -5.00 113.70 107.88 2gqj s SER 66 Ca 0.02 -0.41 0.34 0.00 1.31 0.00 0.00 55.95 57.21 2gqj s SER 66 Cb 0.10 -0.57 1.46 0.00 0.21 0.00 0.00 66.02 67.22 2gqj s SER 66 CO 0.74 -0.22 1.77 0.07 0.41 0.00 0.00 173.24 176.00 2gqj h LYS 67 N 8.27 0.00 -0.84 12.44 2.10 -1.99 0.31 116.57 136.86 2gqj h LYS 67 Ca -0.20 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.48 2gqj h LYS 67 Cb 1.12 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.41 2gqj h LYS 67 CO 0.31 0.00 0.55 0.00 -2.00 0.00 0.00 179.45 178.31 2gqj h ALA 68 N 1.31 1.10 -0.21 0.07 0.00 -1.98 -1.17 119.26 118.38 2gqj h ALA 68 Ca 0.47 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.19 2gqj h ALA 68 Cb 2.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2gqj h ALA 68 CO -0.00 0.41 -0.48 0.78 0.00 0.00 0.00 179.25 179.96 2gqj h GLY 69 N 1.08 0.61 1.36 0.00 0.00 -0.80 -3.11 103.07 102.21 2gqj h GLY 69 Ca 0.33 -0.65 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 2gqj h GLY 69 CO -0.10 0.59 -0.19 -2.00 0.00 0.00 0.00 176.54 174.84 2gqj h LEU 70 N 0.44 0.75 0.28 3.11 5.85 -1.33 0.89 115.31 125.30 2gqj h LEU 70 Ca 0.02 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2gqj h LEU 70 Cb 1.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2gqj h LEU 70 CO 0.09 0.94 -0.26 0.78 -0.34 0.00 0.00 178.44 179.64 2gqj h ASN 71 N 0.66 -0.69 0.59 1.25 2.35 -1.16 0.21 115.58 118.79 2gqj h ASN 71 Ca 0.10 0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 2gqj h ASN 71 Cb 0.68 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.27 2gqj h ASN 71 CO 0.05 -0.38 -0.63 0.22 -1.65 0.00 0.00 177.43 175.03 2gqj h TYR 72 N -0.57 0.05 0.23 1.19 5.03 -1.53 -3.17 116.97 118.20 2gqj h TYR 72 Ca -0.01 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 2gqj h TYR 72 Cb 0.52 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.79 2gqj h TYR 72 CO -0.16 0.66 -0.11 1.25 -1.32 0.00 0.00 178.16 178.48 2gqj h HIS 73 N 0.03 -0.29 -0.50 -3.82 2.76 -0.47 0.21 115.15 113.08 2gqj h HIS 73 Ca -0.01 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.30 2gqj h HIS 73 Cb 1.13 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.16 2gqj h HIS 73 CO 0.00 -0.01 0.38 1.15 -1.30 0.00 0.00 177.93 178.15 2gqj h THR 74 N -0.55 0.68 0.10 6.26 2.02 -0.63 0.60 112.91 121.39 2gqj h THR 74 Ca -0.03 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.94 2gqj h THR 74 Cb 0.40 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2gqj h THR 74 CO 0.05 0.00 -1.02 -0.03 0.37 0.00 0.00 175.52 174.89 2gqj h MET 75 N 0.00 0.21 0.53 6.66 -1.53 -1.47 -2.49 114.93 116.83 2gqj h MET 75 Ca 0.24 -0.36 -0.03 0.00 -3.44 0.00 0.00 59.70 56.11 2gqj h MET 75 Cb 0.99 0.13 0.01 0.00 -0.55 0.00 0.00 31.60 32.17 2gqj h MET 75 CO -0.00 1.17 -0.25 0.00 0.14 0.00 0.00 176.91 177.97 2gqj h ALA 76 N -0.04 -0.73 0.65 0.39 0.00 0.31 -3.37 119.26 116.47 2gqj h ALA 76 Ca -0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2gqj h ALA 76 Cb 1.58 0.27 0.01 0.00 0.00 0.00 0.00 17.79 19.65 2gqj h ALA 76 CO 0.06 -0.68 -0.31 0.93 0.00 0.00 0.00 179.25 179.25 2gqj h GLU 77 N -1.15 -0.84 0.00 0.00 4.39 -0.03 -3.46 114.58 113.48 2gqj h GLU 77 Ca -0.07 0.06 -0.49 0.00 0.34 0.00 0.00 59.36 59.20 2gqj h GLU 77 Cb 0.54 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2gqj h GLU 77 CO 0.12 -0.52 -0.19 0.72 -1.16 0.00 0.00 179.01 177.98 2gqj n HIS 78 N -5.38 -1.16 -3.59 4.33 8.25 -0.95 -5.05 115.22 111.66 2gqj n HIS 78 Ca -0.12 -2.02 -0.28 0.00 -0.26 0.00 0.00 57.72 55.05 2gqj n HIS 78 Cb 0.37 -0.42 -0.11 0.00 1.12 0.00 0.00 29.99 30.94 2gqj n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2gqj s SER 79 N -3.96 2.80 0.07 0.41 0.15 -1.17 -3.54 113.70 108.46 2gqj s SER 79 Ca 0.35 -3.29 -0.30 0.00 0.70 0.00 0.00 55.95 53.41 2gqj s SER 79 Cb -0.03 -0.89 -0.05 0.00 -1.71 0.00 0.00 66.02 63.34 2gqj s SER 79 CO 0.22 -0.15 1.11 0.00 1.20 0.00 0.00 173.24 175.62 2gqj s ALA 80 N -0.42 3.32 0.12 5.45 0.00 -1.25 -4.98 121.76 123.99 2gqj s ALA 80 Ca 0.29 0.75 -0.31 0.00 0.00 0.00 0.00 51.96 52.68 2gqj s ALA 80 Cb -0.02 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 2gqj s ALA 80 CO -0.17 -0.31 1.56 0.21 0.00 0.00 0.00 175.76 177.05 2gqj s LYS 81 N 0.69 4.23 -0.92 0.00 2.36 -1.26 -4.90 119.74 119.94 2gqj s LYS 81 Ca 0.54 2.30 -0.24 0.00 -2.55 0.00 0.00 55.97 56.01 2gqj s LYS 81 Cb -0.27 -3.31 -0.05 0.00 -1.05 0.00 0.00 37.83 33.16 2gqj s LYS 81 CO 0.30 -0.62 1.95 -1.25 1.55 0.00 0.00 175.35 177.28 2gqj s PRO 82 N 1.60 2.55 -0.31 4.03 0.04 -1.26 -4.91 135.00 136.73 2gqj s PRO 82 Ca 0.70 -0.34 -0.43 0.00 0.04 0.00 0.00 61.00 60.97 2gqj s PRO 82 Cb -0.41 -5.07 -0.18 0.00 0.04 0.00 0.00 34.50 28.87 2gqj s PRO 82 CO 0.31 -3.42 1.57 0.45 0.04 0.00 0.00 177.00 175.95 2gqj n SER 83 N 14.01 1.52 -4.22 6.66 2.88 -1.26 -4.93 113.62 128.28 2gqj n SER 83 Ca 0.40 1.14 -0.34 0.00 -1.33 0.00 0.00 58.87 58.74 2gqj n SER 83 Cb 0.47 -1.00 -0.15 0.00 -0.75 0.00 0.00 64.21 62.78 2gqj n SER 83 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2gqj s ASP 84 N 2.62 4.03 -0.92 -3.46 -1.08 -1.26 -5.06 116.67 111.55 2gqj s ASP 84 Ca 0.99 -0.65 -0.13 0.00 -0.52 0.00 0.00 52.55 52.24 2gqj s ASP 84 Cb -1.28 -1.65 0.24 0.00 -1.46 0.00 0.00 42.92 38.77 2gqj s ASP 84 CO 0.70 -0.06 0.88 0.00 0.52 0.00 0.00 175.17 177.21 2gqj s ALA 85 N 1.37 4.29 -0.47 3.66 0.00 -1.26 -4.85 121.76 124.49 2gqj s ALA 85 Ca 0.03 -3.49 0.03 0.00 0.00 0.00 0.00 51.96 48.54 2gqj s ALA 85 Cb -0.15 -3.54 0.56 0.00 0.00 0.00 0.00 23.12 19.99 2gqj s ALA 85 CO -0.06 -2.26 1.81 -0.85 0.00 0.00 0.00 175.76 174.39 2gqj n GLU 86 N 3.59 2.40 -3.85 0.00 0.28 -1.26 -4.84 120.64 116.96 2gqj n GLU 86 Ca 0.17 -3.22 -0.30 0.00 -0.16 0.00 0.00 57.16 53.65 2gqj n GLU 86 Cb 0.45 -2.15 -0.15 0.00 1.43 0.00 0.00 31.44 31.02 2gqj n GLU 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2gqj s ALA 87 N -3.47 2.13 -0.14 -1.84 0.00 -1.26 -5.09 121.76 112.09 2gqj s ALA 87 Ca 0.56 -2.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.13 2gqj s ALA 87 Cb 0.47 -1.78 0.13 0.00 0.00 0.00 0.00 23.12 21.93 2gqj s ALA 87 CO 0.05 -1.71 1.02 -1.12 0.00 0.00 0.00 175.76 174.00 2gqj s SER 88 N 1.23 -0.33 -0.47 0.00 0.01 -1.26 -5.11 113.70 107.77 2gqj s SER 88 Ca 0.11 0.27 -0.42 0.00 1.31 0.00 0.00 55.95 57.22 2gqj s SER 88 Cb -0.19 0.29 -0.18 0.00 0.21 0.00 0.00 66.02 66.15 2gqj s SER 88 CO -0.17 -0.36 1.77 1.21 0.41 0.00 0.00 173.24 176.11 2gqj n GLU 89 N 0.47 0.00 0.00 12.44 2.13 -1.26 -4.32 120.64 130.10 2gqj n GLU 89 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2gqj n GLU 89 Cb 0.59 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.90 2gqj n GLU 89 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gqj n GLY 90 N 5.56 -0.01 1.20 8.31 0.00 -1.26 -5.11 105.19 113.88 2gqj n GLY 90 Ca 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.03 3.39 -0.02 0.00 -1.26 -4.96 105.19 102.32 2gqj n GLY 91 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2gqj n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gqj s GLU 92 N -1.57 3.65 -0.45 1.61 2.12 -1.26 -4.99 118.70 117.81 2gqj s GLU 92 Ca 0.00 -2.16 -0.11 0.00 0.36 0.00 0.00 54.97 53.06 2gqj s GLU 92 Cb 0.00 -4.70 0.09 0.00 0.26 0.00 0.00 34.13 29.78 2gqj s GLU 92 CO 0.00 -1.54 0.32 -1.54 -0.54 0.00 0.00 175.26 171.96 2gqj s SER 93 N 2.86 5.79 -0.06 -1.70 1.04 -1.26 -5.07 113.70 115.31 2gqj s SER 93 Ca 0.27 -1.59 -0.22 0.00 0.48 0.00 0.00 55.95 54.88 2gqj s SER 93 Cb -0.07 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 2gqj s SER 93 CO -0.09 -0.62 0.65 -0.83 0.98 0.00 0.00 173.24 173.33 2gqj s GLY 94 N 2.46 2.59 -0.31 7.32 0.00 -1.26 -5.01 107.32 113.12 2gqj s GLY 94 Ca 0.04 0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.55 2gqj s GLY 94 CO 0.02 1.04 1.67 2.56 0.00 0.00 0.00 173.10 178.40 2gqj s PRO 95 N 0.57 3.53 0.29 2.90 0.04 -1.26 -5.00 135.00 136.07 2gqj s PRO 95 Ca 0.35 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.83 2gqj s PRO 95 Cb -0.18 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 2gqj s PRO 95 CO 0.17 -1.61 0.47 -1.54 0.04 0.00 0.00 177.00 174.52 2gqj s SER 96 N 5.08 6.32 0.76 6.66 1.04 -1.26 -5.10 113.70 127.20 2gqj s SER 96 Ca 0.74 0.33 -0.12 0.00 0.48 0.00 0.00 55.95 57.38 2gqj s SER 96 Cb -0.22 -1.98 0.05 0.00 0.10 0.00 0.00 66.02 63.97 2gqj s SER 96 CO 0.32 -0.19 1.13 -0.55 0.98 0.00 0.00 173.24 174.93 2gqj s SER 97 N -3.87 4.94 0.00 7.02 0.15 -1.26 -5.34 113.70 115.34 2gqj s SER 97 Ca 0.38 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.04 2gqj s SER 97 Cb -0.10 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 2gqj s SER 97 CO 0.33 -1.65 0.00 0.61 1.20 0.00 0.00 173.24 173.73