#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 -0.58 -0.01 1.61 0.15 -1.26 -5.07 113.70 108.55 2gqj s SER 2 Ca 0.00 0.95 -0.00 0.00 0.70 0.00 0.00 55.95 57.60 2gqj s SER 2 Cb 0.00 1.20 -0.00 0.00 -1.71 0.00 0.00 66.02 65.50 2gqj s SER 2 CO 0.00 -0.15 -0.01 -1.20 1.20 0.00 0.00 173.24 173.08 2gqj n SER 3 N 3.59 2.01 -2.70 5.45 7.64 -1.26 -5.12 113.62 123.23 2gqj n SER 3 Ca -0.18 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.67 2gqj n SER 3 Cb 0.58 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.73 2gqj n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gqj n GLY 4 N 3.21 -4.35 3.53 0.23 0.00 -1.26 -5.00 105.19 101.56 2gqj n GLY 4 Ca -0.01 1.21 -0.34 0.00 0.00 0.00 0.00 46.02 46.88 2gqj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqj s SER 5 N -0.92 4.89 0.06 1.61 0.01 -1.26 -5.11 113.70 112.99 2gqj s SER 5 Ca -0.17 -0.08 -0.03 0.00 1.31 0.00 0.00 55.95 56.97 2gqj s SER 5 Cb 0.01 -1.74 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 2gqj s SER 5 CO 0.70 0.20 0.04 -0.44 0.41 0.00 0.00 173.24 174.14 2gqj s SER 6 N 0.20 0.35 -0.42 2.44 0.01 -1.26 -5.13 113.70 109.89 2gqj s SER 6 Ca -0.01 -0.83 0.02 0.00 1.31 0.00 0.00 55.95 56.43 2gqj s SER 6 Cb -0.14 0.23 0.13 0.00 0.21 0.00 0.00 66.02 66.46 2gqj s SER 6 CO 0.03 -0.61 0.21 -0.83 0.41 0.00 0.00 173.24 172.45 2gqj s GLY 7 N -2.73 1.59 0.85 3.44 0.00 -1.26 -5.12 107.32 104.08 2gqj s GLY 7 Ca 0.04 -2.46 -0.11 0.00 0.00 0.00 0.00 44.72 42.18 2gqj s GLY 7 CO -0.09 1.54 1.09 2.56 0.00 0.00 0.00 173.10 178.20 2gqj s PRO 8 N 0.55 1.66 0.01 2.90 0.04 -1.26 -5.00 135.00 133.89 2gqj s PRO 8 Ca 0.16 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.14 2gqj s PRO 8 Cb -0.23 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2gqj s PRO 8 CO -0.03 -2.00 1.05 0.78 0.04 0.00 0.00 177.00 176.84 2gqj h GLY 9 N -1.38 -0.31 0.00 0.56 0.00 -2.06 -3.50 103.07 96.38 2gqj h GLY 9 Ca -0.47 0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2gqj h GLY 9 CO 0.53 -0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.57 2gqj n GLY 10 N -1.06 2.84 0.08 4.60 0.00 -1.26 -4.72 105.19 105.66 2gqj n GLY 10 Ca -0.01 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.06 -2.56 1.61 0.13 -2.07 -3.40 132.00 125.65 2gqj h PRO 11 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.54 2gqj h PRO 11 Cb 0.00 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 30.75 2gqj h PRO 11 CO 0.00 0.41 -0.87 -1.21 -0.23 0.00 0.00 178.00 176.10 2gqj s GLU 12 N -4.22 1.29 -0.22 0.86 8.01 -1.26 -4.95 118.70 118.21 2gqj s GLU 12 Ca -0.15 -2.40 -0.17 0.00 0.01 0.00 0.00 54.97 52.26 2gqj s GLU 12 Cb 0.02 -1.93 -0.12 0.00 -4.31 0.00 0.00 34.13 27.78 2gqj s GLU 12 CO 0.64 -1.35 -0.11 -1.91 0.01 0.00 0.00 175.26 172.54 2gqj n GLU 13 N 2.67 0.55 0.11 1.61 2.13 -1.26 -3.85 120.64 122.60 2gqj n GLU 13 Ca 0.27 0.42 -0.23 0.00 0.66 0.00 0.00 57.16 58.27 2gqj n GLU 13 Cb 0.44 -1.61 -0.15 0.00 0.27 0.00 0.00 31.44 30.38 2gqj n GLU 13 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2gqj h GLN 14 N -1.00 0.46 -0.76 5.31 5.75 -1.94 -2.89 115.11 120.04 2gqj h GLN 14 Ca -0.37 -0.78 0.01 0.00 -0.15 0.00 0.00 58.65 57.36 2gqj h GLN 14 Cb 1.24 0.29 -0.04 0.00 1.07 0.00 0.00 27.48 30.05 2gqj h GLN 14 CO -0.22 1.38 0.50 -1.49 -2.65 0.00 0.00 178.83 176.34 2gqj h TRP 15 N -0.00 0.95 -0.05 3.99 6.55 -1.93 -1.76 115.95 123.69 2gqj h TRP 15 Ca -0.24 0.02 -0.13 0.00 0.95 0.00 0.00 58.89 59.49 2gqj h TRP 15 Cb 2.02 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 29.99 2gqj h TRP 15 CO 0.14 0.59 -0.54 -0.56 -1.05 0.00 0.00 178.44 177.02 2gqj h GLN 16 N 1.02 0.15 -0.17 0.49 3.07 -1.67 0.21 115.11 118.20 2gqj h GLN 16 Ca 0.28 -0.09 -0.09 0.00 0.09 0.00 0.00 58.65 58.84 2gqj h GLN 16 Cb -0.11 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.45 2gqj h GLN 16 CO -0.06 0.65 -0.28 0.00 0.09 0.00 0.00 178.83 179.23 2gqj h ARG 17 N 0.11 0.32 0.00 0.06 3.08 -1.16 -2.71 114.38 114.09 2gqj h ARG 17 Ca -0.00 -0.12 -0.20 0.00 0.07 0.00 0.00 59.98 59.74 2gqj h ARG 17 Cb 1.00 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.99 2gqj h ARG 17 CO 0.08 0.58 -1.69 0.00 -1.07 0.00 0.00 179.97 177.86 2gqj n ALA 18 N -2.48 1.92 0.24 0.04 0.00 -0.73 -2.84 120.51 116.67 2gqj n ALA 18 Ca -0.01 -0.71 0.10 0.00 0.00 0.00 0.00 53.44 52.82 2gqj n ALA 18 Cb 0.39 -0.78 0.59 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 0.68 0.00 0.00 2.04 -0.46 -0.90 117.51 118.87 2gqj h ILE 19 Ca -0.23 -0.81 -0.22 0.00 1.00 0.00 0.00 64.86 64.60 2gqj h ILE 19 Cb 1.68 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 39.23 2gqj h ILE 19 CO 0.04 0.19 -2.17 0.00 0.00 0.00 0.00 178.15 176.21 2gqj n HIS 20 N -3.65 0.00 0.04 1.37 1.44 -1.03 -3.76 115.22 109.63 2gqj n HIS 20 Ca -0.01 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.60 2gqj n HIS 20 Cb 0.32 -0.77 -0.07 0.00 0.12 0.00 0.00 29.99 29.59 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 -0.19 0.00 -1.40 4.39 -1.36 -3.43 114.58 112.58 2gqj h GLU 21 Ca -0.33 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2gqj h GLU 21 Cb 1.73 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 2gqj h GLU 21 CO 0.02 0.22 0.00 0.54 -1.16 0.00 0.00 179.01 178.62 2gqj n ARG 22 N -4.90 0.00 0.10 2.33 5.12 -0.36 -5.08 116.66 113.88 2gqj n ARG 22 Ca -0.07 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2gqj n ARG 22 Cb 0.25 -0.41 0.00 0.00 -1.16 0.00 0.00 32.46 31.14 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 1.99 -1.29 3.40 -0.13 0.00 -1.16 -5.03 105.19 102.97 2gqj n GLY 23 Ca 0.00 0.34 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 1.23 -0.61 1.61 1.03 -1.26 -4.56 118.70 114.15 2gqj s GLU 24 Ca 0.00 -0.56 -0.03 0.00 0.03 0.00 0.00 54.97 54.40 2gqj s GLU 24 Cb 0.00 0.55 0.16 0.00 -0.80 0.00 0.00 34.13 34.04 2gqj s GLU 24 CO 0.00 -0.52 0.42 0.00 -1.33 0.00 0.00 175.26 173.83 2gqj s ALA 25 N -3.77 3.55 1.01 -0.84 0.00 -1.26 -4.75 121.76 115.70 2gqj s ALA 25 Ca 0.02 -3.19 -0.12 0.00 0.00 0.00 0.00 51.96 48.67 2gqj s ALA 25 Cb -0.00 -2.65 0.20 0.00 0.00 0.00 0.00 23.12 20.66 2gqj s ALA 25 CO -0.12 -2.08 1.08 0.14 0.00 0.00 0.00 175.76 174.79 2gqj s VAL 26 N 0.07 2.15 0.08 0.00 -7.23 -1.26 -4.75 120.40 109.45 2gqj s VAL 26 Ca 0.16 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 60.08 2gqj s VAL 26 Cb -0.20 -2.45 -0.10 0.00 0.56 0.00 0.00 36.38 34.19 2gqj s VAL 26 CO -0.04 -0.07 1.92 0.00 -0.31 0.00 0.00 175.10 176.61 2gqj n PRO 28 N 6.74 0.49 -0.09 0.00 -0.04 -1.26 0.14 135.00 140.98 2gqj n PRO 28 Ca 0.19 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.49 2gqj n PRO 28 Cb 0.40 -1.38 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.88 1.37 0.00 0.52 -1.04 -1.26 -4.82 114.28 108.16 2gqj n THR 29 Ca 0.09 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2gqj n THR 29 Cb 0.04 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 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 -1.16 -2.72 -3.33 0.00 4.13 0.38 -4.94 115.26 107.62 2gqj n ASN 31 Ca 0.00 -0.55 -0.09 0.00 1.68 0.00 0.00 54.58 55.63 2gqj n ASN 31 Cb 0.00 -4.49 -0.07 0.00 -1.54 0.00 0.00 39.78 33.68 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 -3.31 -0.62 0.19 2.41 -7.23 -1.26 -4.68 120.40 105.88 2gqj s VAL 32 Ca 0.07 -0.14 -0.13 0.00 -1.81 0.00 0.00 61.98 59.96 2gqj s VAL 32 Cb -0.01 -0.88 0.05 0.00 0.56 0.00 0.00 36.38 36.10 2gqj s VAL 32 CO 0.63 -0.17 0.65 1.33 -0.31 0.00 0.00 175.10 177.22 2gqj n VAL 33 N 5.36 0.00 -1.03 1.32 0.24 -1.26 -4.74 118.33 118.21 2gqj n VAL 33 Ca -0.02 -0.51 -0.36 0.00 -2.04 0.00 0.00 64.34 61.41 2gqj n VAL 33 Cb 0.50 0.60 0.03 0.00 -1.47 0.00 0.00 33.84 33.49 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 -0.45 0.00 -0.02 3.34 -1.04 -1.26 -4.74 114.28 110.10 2gqj n THR 34 Ca -0.03 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.05 61.39 2gqj n THR 34 Cb 0.41 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.88 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 -0.68 0.15 0.00 -2.82 2.47 -2.02 -1.45 114.38 110.03 2gqj h ARG 35 Ca -0.42 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 2gqj h ARG 35 Cb 1.29 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 2gqj h ARG 35 CO 0.28 0.10 0.00 1.63 0.56 0.00 0.00 179.97 182.53 2gqj n LYS 36 N -5.03 0.15 -4.23 0.04 5.02 -1.26 -4.88 118.16 107.97 2gqj n LYS 36 Ca -0.04 0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 2gqj n LYS 36 Cb 0.05 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.49 2gqj n LYS 36 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2gqj n THR 37 N -1.41 -0.11 -0.00 -0.18 -2.24 -0.55 -4.64 114.28 105.15 2gqj n THR 37 Ca 0.09 -0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2gqj n THR 37 Cb 0.27 -0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 2gqj n THR 37 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2gqj n LEU 38 N -3.76 0.66 0.09 3.22 -0.00 -1.26 -4.29 117.00 111.66 2gqj n LEU 38 Ca 0.06 0.10 -0.13 0.00 -0.00 0.00 0.00 56.01 56.04 2gqj n LEU 38 Cb 0.43 -0.35 -0.08 0.00 -0.00 0.00 0.00 43.42 43.43 2gqj n LEU 38 CO 0.86 -0.52 0.10 -0.37 -0.00 0.00 0.00 177.39 177.46 2gqj h VAL 39 N -0.19 1.48 0.00 1.96 -1.51 -1.99 -3.33 116.25 112.67 2gqj h VAL 39 Ca 0.00 -2.79 -0.00 0.00 -1.23 0.00 0.00 66.70 62.67 2gqj h VAL 39 Cb 0.19 2.67 -0.00 0.00 -2.13 0.00 0.00 31.29 32.02 2gqj h VAL 39 CO 0.00 0.82 -0.02 1.23 -1.23 0.00 0.00 177.57 178.37 2gqj h GLY 40 N 1.61 0.00 -1.19 5.19 0.00 -1.95 -2.97 103.07 103.77 2gqj h GLY 40 Ca -0.09 0.00 0.45 0.00 0.00 0.00 0.00 47.33 47.69 2gqj h GLY 40 CO 0.17 0.00 0.71 -0.10 0.00 0.00 0.00 176.54 177.33 2gqj n LEU 41 N -4.62 0.27 -0.04 3.11 7.94 -1.26 0.16 117.00 122.57 2gqj n LEU 41 Ca -0.10 1.50 -0.06 0.00 -1.11 0.00 0.00 56.01 56.24 2gqj n LEU 41 Cb 0.45 -0.73 -0.05 0.00 0.53 0.00 0.00 43.42 43.61 2gqj n LEU 41 CO 0.31 -1.66 0.18 0.11 -1.11 0.00 0.00 177.39 175.23 2gqj h LYS 42 N 0.00 -0.04 0.00 1.96 1.57 -1.67 -1.42 116.57 116.97 2gqj h LYS 42 Ca 0.86 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.64 2gqj h LYS 42 Cb 2.53 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.85 2gqj h LYS 42 CO -0.60 0.36 0.00 1.63 -0.57 0.00 0.00 179.45 180.27 2gqj n LYS 43 N -4.75 0.06 -0.11 3.15 5.02 0.27 -1.83 118.16 119.98 2gqj n LYS 43 Ca -0.04 0.51 -0.22 0.00 -2.02 0.00 0.00 58.31 56.54 2gqj n LYS 43 Cb 0.20 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.81 0.47 -0.27 2.13 -0.00 0.42 -4.40 115.22 111.77 2gqj n HIS 44 Ca 0.00 0.20 0.08 0.00 0.46 0.00 0.00 57.72 58.47 2gqj n HIS 44 Cb 0.05 -0.95 0.32 0.00 -0.12 0.00 0.00 29.99 29.29 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 -1.00 0.80 -0.80 1.57 -0.00 -0.98 0.29 114.93 114.81 2gqj h MET 45 Ca -0.41 -0.05 0.18 0.00 -0.00 0.00 0.00 59.70 59.42 2gqj h MET 45 Cb 1.30 -0.18 -0.15 0.00 -0.00 0.00 0.00 31.60 32.58 2gqj h MET 45 CO -0.25 0.53 -0.06 1.05 -0.00 0.00 0.00 176.91 178.18 2gqj h GLU 46 N 0.83 0.06 0.00 -0.10 4.11 -1.57 -1.37 114.58 116.54 2gqj h GLU 46 Ca 0.41 -0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.54 2gqj h GLU 46 Cb 0.47 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2gqj h GLU 46 CO -0.18 0.04 -1.85 1.33 0.07 0.00 0.00 179.01 178.42 2gqj n VAL 47 N -5.42 1.52 -0.13 -1.06 0.24 -0.80 -4.38 118.33 108.30 2gqj n VAL 47 Ca 0.14 -0.80 -0.03 0.00 -2.04 0.00 0.00 64.34 61.61 2gqj n VAL 47 Cb 0.49 -0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 31.95 2gqj n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gqj h GLN 49 N 0.00 0.30 -0.98 0.00 3.07 -1.75 0.50 115.11 116.25 2gqj h GLN 49 Ca 0.05 -0.02 0.05 0.00 0.09 0.00 0.00 58.65 58.82 2gqj h GLN 49 Cb 0.13 -0.07 -0.06 0.00 0.08 0.00 0.00 27.48 27.56 2gqj h GLN 49 CO -0.29 0.20 0.64 -0.22 0.09 0.00 0.00 178.83 179.24 2gqj h LYS 50 N 0.31 1.16 0.10 0.06 3.64 -0.49 0.32 116.57 121.67 2gqj h LYS 50 Ca 0.42 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2gqj h LYS 50 Cb 0.70 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2gqj h LYS 50 CO -0.48 0.77 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.35 2gqj h LEU 51 N 1.20 -0.12 -0.77 5.20 -0.00 0.23 -3.28 115.31 117.77 2gqj h LEU 51 Ca 0.41 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 58.46 2gqj h LEU 51 Cb 0.08 0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 40.65 2gqj h LEU 51 CO -0.15 0.17 0.19 -0.61 -0.00 0.00 0.00 178.44 178.05 2gqj h GLN 52 N -0.65 0.26 -0.92 1.13 4.15 -0.17 1.00 115.11 119.91 2gqj h GLN 52 Ca -0.01 -0.02 0.24 0.00 0.77 0.00 0.00 58.65 59.63 2gqj h GLN 52 Cb 0.10 -0.06 -0.13 0.00 0.21 0.00 0.00 27.48 27.60 2gqj h GLN 52 CO 0.02 0.17 0.40 0.22 -1.93 0.00 0.00 178.83 177.72 2gqj h ASP 53 N 0.27 0.32 0.25 -0.69 1.82 -0.50 0.20 116.42 118.09 2gqj h ASP 53 Ca 0.44 0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 57.24 2gqj h ASP 53 Cb 0.78 0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.94 2gqj h ASP 53 CO -0.54 -0.05 -0.13 0.00 -1.61 0.00 0.00 179.24 176.92 2gqj h ALA 54 N 1.75 -1.07 -0.96 -0.78 0.00 -0.85 -2.96 119.26 114.39 2gqj h ALA 54 Ca 0.59 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.64 2gqj h ALA 54 Cb 1.18 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 2gqj h ALA 54 CO -0.56 -1.05 0.62 -0.07 0.00 0.00 0.00 179.25 178.19 2gqj h LEU 55 N -0.35 0.47 -9.79 0.00 -0.00 -1.38 -3.41 115.31 100.85 2gqj h LEU 55 Ca -0.03 0.06 -0.55 0.00 -0.00 0.00 0.00 57.88 57.36 2gqj h LEU 55 Cb 0.27 -0.03 0.09 0.00 -0.00 0.00 0.00 40.66 41.00 2gqj h LEU 55 CO 0.05 0.16 0.79 1.17 -0.00 0.00 0.00 178.44 180.62 2gqj n LYS 56 N -4.57 2.56 -1.81 1.13 4.81 0.67 -3.92 118.16 117.03 2gqj n LYS 56 Ca 0.21 0.91 -0.18 0.00 -0.87 0.00 0.00 58.31 58.37 2gqj n LYS 56 Cb 0.73 -2.64 0.11 0.00 0.02 0.00 0.00 35.03 33.24 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 -2.60 0.00 -0.20 0.00 -0.06 -1.26 -4.03 117.38 109.24 2gqj n GLN 58 Ca 0.12 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 55.06 2gqj n GLN 58 Cb 0.43 -0.43 0.04 0.00 -4.06 0.00 0.00 30.24 26.22 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 0.00 0.69 0.00 3.69 3.86 -1.99 -2.91 115.15 118.49 2gqj h HIS 59 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2gqj h HIS 59 Cb 0.81 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2gqj h HIS 59 CO 0.00 0.42 -1.37 0.00 0.86 0.00 0.00 177.93 177.84 2gqj n ARG 61 N -1.84 -3.73 -4.29 0.00 3.00 -1.10 -4.99 116.66 103.70 2gqj n ARG 61 Ca 0.01 0.57 -0.21 0.00 -0.01 0.00 0.00 57.85 58.21 2gqj n ARG 61 Cb 0.43 -4.92 -0.13 0.00 0.00 0.00 0.00 32.46 27.85 2gqj n ARG 61 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2gqj s LYS 62 N -5.95 1.01 -0.08 5.56 1.02 -1.26 -4.89 119.74 115.15 2gqj s LYS 62 Ca 0.13 -1.00 -0.15 0.00 0.02 0.00 0.00 55.97 54.97 2gqj s LYS 62 Cb -0.04 -1.13 -0.05 0.00 -0.52 0.00 0.00 37.83 36.10 2gqj s LYS 62 CO 0.83 0.26 0.39 -1.14 -0.92 0.00 0.00 175.35 174.77 2gqj s GLN 63 N -1.65 4.12 0.01 1.68 -0.44 -1.26 -0.32 119.66 121.80 2gqj s GLN 63 Ca 0.03 0.32 0.06 0.00 -2.50 0.00 0.00 55.36 53.26 2gqj s GLN 63 Cb -0.10 -3.34 -0.03 0.00 -1.64 0.00 0.00 33.01 27.91 2gqj s GLN 63 CO 0.03 0.41 -0.16 -0.06 0.50 0.00 0.00 175.29 176.02 2gqj s PHE 64 N -0.15 2.63 -0.65 1.67 0.40 -1.25 -4.96 117.98 115.67 2gqj s PHE 64 Ca 0.22 -0.21 -0.00 0.00 -0.60 0.00 0.00 56.93 56.34 2gqj s PHE 64 Cb -0.15 -1.53 0.42 0.00 0.51 0.00 0.00 43.02 42.28 2gqj s PHE 64 CO 0.09 0.24 1.86 1.17 0.70 0.00 0.00 175.22 179.29 2gqj n LYS 65 N 1.76 2.88 -3.15 0.44 3.00 -1.26 -4.71 118.16 117.11 2gqj n LYS 65 Ca -0.16 -3.54 0.05 0.00 -0.00 0.00 0.00 58.31 54.66 2gqj n LYS 65 Cb 0.52 -2.28 -0.01 0.00 0.00 0.00 0.00 35.03 33.26 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 -2.00 -0.50 0.20 3.14 0.15 -1.26 -5.02 113.70 108.41 2gqj s SER 66 Ca 0.59 0.25 -0.12 0.00 0.70 0.00 0.00 55.95 57.37 2gqj s SER 66 Cb 0.47 1.39 0.25 0.00 -1.71 0.00 0.00 66.02 66.42 2gqj s SER 66 CO -0.12 -0.09 1.70 0.50 1.20 0.00 0.00 173.24 176.43 2gqj h LYS 67 N 7.86 0.19 -0.90 5.44 3.64 -1.98 -0.55 116.57 130.28 2gqj h LYS 67 Ca -0.13 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2gqj h LYS 67 Cb 1.17 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 2gqj h LYS 67 CO -0.08 0.13 0.50 0.00 -2.27 0.00 0.00 179.45 177.73 2gqj h ALA 68 N 1.46 1.15 -0.41 5.00 0.00 -2.01 -2.36 119.26 122.09 2gqj h ALA 68 Ca 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2gqj h ALA 68 Cb 0.43 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2gqj h ALA 68 CO -0.41 0.64 0.14 0.78 0.00 0.00 0.00 179.25 180.40 2gqj h GLY 69 N 1.25 0.63 0.63 0.00 0.00 -1.54 -3.06 103.07 100.98 2gqj h GLY 69 Ca 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2gqj h GLY 69 CO -0.05 0.29 -0.12 -2.00 0.00 0.00 0.00 176.54 174.66 2gqj h LEU 70 N 0.58 -0.27 -0.89 3.11 5.85 -0.77 -2.39 115.31 120.53 2gqj h LEU 70 Ca 0.14 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.78 2gqj h LEU 70 Cb 0.16 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 41.11 2gqj h LEU 70 CO -0.01 0.11 -0.34 0.59 -0.34 0.00 0.00 178.44 178.45 2gqj n ASN 71 N -5.07 -0.56 0.06 1.25 3.02 -1.01 -0.14 115.26 112.80 2gqj n ASN 71 Ca -0.09 1.55 -0.02 0.00 -0.03 0.00 0.00 54.58 55.99 2gqj n ASN 71 Cb 0.25 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 2gqj n ASN 71 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2gqj h TYR 72 N 0.00 -0.14 -0.76 3.10 3.20 -1.58 -3.23 116.97 117.57 2gqj h TYR 72 Ca 0.32 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.29 2gqj h TYR 72 Cb 0.54 0.05 -0.12 0.00 1.54 0.00 0.00 36.73 38.74 2gqj h TYR 72 CO -0.78 -0.09 -0.32 1.58 -1.64 0.00 0.00 178.16 176.92 2gqj n HIS 73 N -2.51 -0.03 -0.33 -3.82 -0.00 -0.85 0.14 115.22 107.82 2gqj n HIS 73 Ca -0.02 0.93 0.17 0.00 -0.00 0.00 0.00 57.72 58.80 2gqj n HIS 73 Cb 0.06 -0.75 0.33 0.00 -0.00 0.00 0.00 29.99 29.63 2gqj n HIS 73 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 2gqj h THR 74 N 0.00 0.08 0.00 3.57 2.02 -0.60 0.59 112.91 118.58 2gqj h THR 74 Ca 0.24 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.40 2gqj h THR 74 Cb 0.43 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2gqj h THR 74 CO -0.74 0.01 -0.00 -0.03 0.37 0.00 0.00 175.52 175.12 2gqj h MET 75 N 0.05 -0.01 -0.04 6.66 -1.53 0.13 -0.73 114.93 119.46 2gqj h MET 75 Ca 0.62 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.90 2gqj h MET 75 Cb 1.35 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 32.35 2gqj h MET 75 CO -0.84 0.59 -0.45 0.00 0.14 0.00 0.00 176.91 176.35 2gqj h ALA 76 N -0.39 -0.86 0.01 0.39 0.00 0.23 0.13 119.26 118.78 2gqj h ALA 76 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2gqj h ALA 76 Cb 0.60 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2gqj h ALA 76 CO 0.00 -1.00 -0.01 0.93 0.00 0.00 0.00 179.25 179.17 2gqj h GLU 77 N -0.53 -0.02 -3.33 0.00 4.39 -0.04 -3.37 114.58 111.68 2gqj h GLU 77 Ca 0.02 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.02 2gqj h GLU 77 Cb 0.59 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 28.89 2gqj h GLU 77 CO -0.32 0.42 -0.14 -1.01 -1.16 0.00 0.00 179.01 176.80 2gqj s HIS 78 N -4.43 3.84 -0.04 4.33 3.76 -0.28 -5.06 115.29 117.42 2gqj s HIS 78 Ca -0.16 -3.01 -0.30 0.00 -0.15 0.00 0.00 55.06 51.45 2gqj s HIS 78 Cb 0.02 -3.22 -0.05 0.00 1.11 0.00 0.00 32.58 30.44 2gqj s HIS 78 CO 0.67 -0.74 1.44 -1.54 -0.85 0.00 0.00 174.74 173.72 2gqj s SER 79 N -0.10 6.82 -1.07 1.40 1.04 0.43 -3.82 113.70 118.38 2gqj s SER 79 Ca 0.26 2.09 -0.23 0.00 0.48 0.00 0.00 55.95 58.55 2gqj s SER 79 Cb -0.08 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 2gqj s SER 79 CO -0.12 -0.78 1.85 0.00 0.98 0.00 0.00 173.24 175.17 2gqj s ALA 80 N 2.95 2.07 -0.03 5.32 0.00 -1.26 -4.91 121.76 125.89 2gqj s ALA 80 Ca 0.65 -2.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 2gqj s ALA 80 Cb -0.31 -4.61 -0.14 0.00 0.00 0.00 0.00 23.12 18.06 2gqj s ALA 80 CO 0.25 -4.61 0.81 1.17 0.00 0.00 0.00 175.76 173.38 2gqj n LYS 81 N 8.59 0.00 -1.20 0.00 3.00 -1.26 -4.88 118.16 122.41 2gqj n LYS 81 Ca 0.42 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.43 2gqj n LYS 81 Cb 0.47 -1.08 0.14 0.00 0.00 0.00 0.00 35.03 34.55 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 0.18 1.28 -0.48 1.64 0.04 -1.26 -5.01 135.00 131.40 2gqj s PRO 82 Ca 0.67 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 62.39 2gqj s PRO 82 Cb -0.93 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 31.88 2gqj s PRO 82 CO 0.43 -2.23 0.39 -1.12 0.04 0.00 0.00 177.00 174.51 2gqj s SER 83 N -3.42 6.06 -0.14 6.66 0.01 -1.26 -4.86 113.70 116.74 2gqj s SER 83 Ca 0.63 -1.46 -0.00 0.00 1.31 0.00 0.00 55.95 56.42 2gqj s SER 83 Cb -0.18 -2.15 -0.09 0.00 0.21 0.00 0.00 66.02 63.81 2gqj s SER 83 CO 0.57 -0.67 -0.14 -0.67 0.41 0.00 0.00 173.24 172.74 2gqj n ASP 84 N 5.15 2.57 -3.54 2.44 -0.08 -1.26 -4.97 116.55 116.87 2gqj n ASP 84 Ca -0.12 -0.03 -0.22 0.00 -1.51 0.00 0.00 54.79 52.91 2gqj n ASP 84 Cb 0.43 -0.26 -0.14 0.00 2.34 0.00 0.00 41.12 43.48 2gqj n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gqj s ALA 85 N -2.28 0.06 0.29 -1.67 0.00 -1.26 -5.13 121.76 111.77 2gqj s ALA 85 Ca -0.19 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 2gqj s ALA 85 Cb 0.05 -1.25 -0.13 0.00 0.00 0.00 0.00 23.12 21.79 2gqj s ALA 85 CO 0.32 -1.27 1.27 0.39 0.00 0.00 0.00 175.76 176.47 2gqj n GLU 86 N 5.30 1.91 -2.54 0.00 -0.58 -1.26 -4.85 120.64 118.62 2gqj n GLU 86 Ca -0.06 0.67 -0.42 0.00 -0.42 0.00 0.00 57.16 56.94 2gqj n GLU 86 Cb 0.48 -2.24 -0.01 0.00 -0.57 0.00 0.00 31.44 29.11 2gqj n GLU 86 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2gqj s ALA 87 N -0.68 3.19 -0.31 0.62 0.00 -1.26 -4.89 121.76 118.43 2gqj s ALA 87 Ca 0.61 -2.84 0.03 0.00 0.00 0.00 0.00 51.96 49.76 2gqj s ALA 87 Cb -0.63 -4.65 0.09 0.00 0.00 0.00 0.00 23.12 17.93 2gqj s ALA 87 CO 0.57 -3.46 0.03 0.45 0.00 0.00 0.00 175.76 173.35 2gqj s SER 88 N 4.42 4.47 -0.28 0.00 0.15 -1.26 -5.08 113.70 116.13 2gqj s SER 88 Ca 0.55 -1.84 -0.21 0.00 0.70 0.00 0.00 55.95 55.15 2gqj s SER 88 Cb 0.04 -1.41 0.08 0.00 -1.71 0.00 0.00 66.02 63.02 2gqj s SER 88 CO 0.08 -0.35 0.75 -0.70 1.20 0.00 0.00 173.24 174.23 2gqj s GLU 89 N 1.13 0.72 0.00 5.44 2.56 -1.26 -5.04 118.70 122.25 2gqj s GLU 89 Ca 0.06 1.04 0.00 0.00 0.00 0.00 0.00 54.97 56.07 2gqj s GLU 89 Cb -0.19 0.26 0.00 0.00 2.00 0.00 0.00 34.13 36.20 2gqj s GLU 89 CO -0.11 -0.12 0.00 0.41 -0.56 0.00 0.00 175.26 174.89 2gqj n GLY 90 N 3.39 -0.03 0.73 -1.50 0.00 -1.26 -5.17 105.19 101.35 2gqj n GLY 90 Ca -0.17 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.86 -1.90 3.56 -0.02 0.00 -1.26 -5.02 105.19 99.69 2gqj n GLY 91 Ca 0.00 -1.32 -0.27 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.07 1.94 -0.13 1.61 1.03 -1.26 -5.15 118.70 114.68 2gqj s GLU 92 Ca 0.00 -2.18 0.01 0.00 0.03 0.00 0.00 54.97 52.83 2gqj s GLU 92 Cb 0.00 -0.87 0.02 0.00 -0.80 0.00 0.00 34.13 32.48 2gqj s GLU 92 CO 0.00 -0.40 -0.15 -1.12 -1.33 0.00 0.00 175.26 172.27 2gqj s SER 93 N -3.65 2.57 0.00 0.83 0.01 -1.26 -5.09 113.70 107.11 2gqj s SER 93 Ca 0.22 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2gqj s SER 93 Cb 0.04 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 65.13 2gqj s SER 93 CO 0.12 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.36 2gqj n GLY 94 N 4.49 3.94 3.56 3.44 0.00 -1.26 -5.06 105.19 114.30 2gqj n GLY 94 Ca -0.18 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.40 2.54 -0.25 1.61 0.04 -1.26 -4.81 135.00 131.47 2gqj s PRO 95 Ca 0.00 -0.48 -0.01 0.00 0.04 0.00 0.00 61.00 60.55 2gqj s PRO 95 Cb 0.00 -5.10 0.14 0.00 0.04 0.00 0.00 34.50 29.58 2gqj s PRO 95 CO 0.00 -3.51 2.12 0.45 0.04 0.00 0.00 177.00 176.11 2gqj n SER 96 N 14.05 6.20 -0.21 6.66 2.88 -1.26 -4.55 113.62 137.39 2gqj n SER 96 Ca 0.41 -2.92 -0.00 0.00 -1.33 0.00 0.00 58.87 55.03 2gqj n SER 96 Cb 0.47 -1.10 0.11 0.00 -0.75 0.00 0.00 64.21 62.94 2gqj n SER 96 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2gqj h SER 97 N 1.54 0.34 0.00 -3.46 4.64 -2.07 -3.57 113.55 110.97 2gqj h SER 97 Ca 0.23 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2gqj h SER 97 Cb 0.94 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2gqj h SER 97 CO 0.59 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.37