#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 -0.42 1.05 1.61 0.15 -1.26 -5.17 113.70 109.67 2gqj s SER 2 Ca 0.00 0.64 -0.12 0.00 0.70 0.00 0.00 55.95 57.17 2gqj s SER 2 Cb 0.00 1.28 0.22 0.00 -1.71 0.00 0.00 66.02 65.81 2gqj s SER 2 CO 0.00 -0.10 1.07 -0.44 1.20 0.00 0.00 173.24 174.97 2gqj s SER 3 N 1.62 1.93 -0.32 5.45 0.01 -1.26 -5.04 113.70 116.08 2gqj s SER 3 Ca -0.07 1.63 -0.09 0.00 1.31 0.00 0.00 55.95 58.74 2gqj s SER 3 Cb -0.04 -2.30 0.19 0.00 0.21 0.00 0.00 66.02 64.08 2gqj s SER 3 CO -0.15 -3.63 1.03 -0.83 0.41 0.00 0.00 173.24 170.08 2gqj s GLY 4 N -2.78 -1.49 0.00 3.44 0.00 -1.26 -5.17 107.32 100.07 2gqj s GLY 4 Ca 0.67 1.31 -0.03 0.00 0.00 0.00 0.00 44.72 46.67 2gqj s GLY 4 CO 0.61 4.27 0.06 -0.45 0.00 0.00 0.00 173.10 177.59 2gqj s SER 5 N 2.04 0.08 -0.25 1.64 0.15 -1.26 -5.15 113.70 110.95 2gqj s SER 5 Ca 0.16 -0.22 -0.09 0.00 0.70 0.00 0.00 55.95 56.50 2gqj s SER 5 Cb 0.02 0.15 0.11 0.00 -1.71 0.00 0.00 66.02 64.59 2gqj s SER 5 CO -0.15 -0.25 0.55 -0.94 1.20 0.00 0.00 173.24 173.65 2gqj s SER 6 N -1.01 -0.73 -0.11 5.45 1.04 -1.26 -5.14 113.70 111.94 2gqj s SER 6 Ca -0.11 1.29 -0.03 0.00 0.48 0.00 0.00 55.95 57.58 2gqj s SER 6 Cb -0.07 1.75 0.04 0.00 0.10 0.00 0.00 66.02 67.85 2gqj s SER 6 CO 0.00 -0.22 0.06 -0.83 0.98 0.00 0.00 173.24 173.23 2gqj s GLY 7 N 2.58 0.35 0.55 7.32 0.00 -1.26 -5.15 107.32 111.72 2gqj s GLY 7 Ca -0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 44.72 44.45 2gqj s GLY 7 CO -0.16 1.48 0.49 -1.55 0.00 0.00 0.00 173.10 173.35 2gqj n PRO 8 N 5.24 -1.98 0.00 2.90 -0.04 -1.26 -4.90 135.00 134.97 2gqj n PRO 8 Ca -0.06 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 2gqj n PRO 8 Cb 0.49 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 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 -0.78 0.75 3.97 0.55 0.00 -1.26 -5.13 105.19 103.29 2gqj n GLY 9 Ca 0.07 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.43 1.52 -0.80 -0.02 0.00 -1.26 -5.01 107.32 100.32 2gqj s GLY 10 Ca 0.00 -1.26 -0.25 0.00 0.00 0.00 0.00 44.72 43.21 2gqj s GLY 10 CO 0.00 -1.16 1.92 2.56 0.00 0.00 0.00 173.10 176.42 2gqj s PRO 11 N -4.28 2.57 -0.77 2.90 0.04 -1.26 -3.06 135.00 131.15 2gqj s PRO 11 Ca 0.44 0.02 -0.03 0.00 0.04 0.00 0.00 61.00 61.47 2gqj s PRO 11 Cb -0.10 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.62 2gqj s PRO 11 CO 0.33 -3.16 0.42 0.39 0.04 0.00 0.00 177.00 175.02 2gqj n GLU 12 N 8.97 -3.07 0.00 4.56 4.71 -1.26 -4.97 120.64 129.58 2gqj n GLU 12 Ca 0.33 0.46 -0.05 0.00 -0.01 0.00 0.00 57.16 57.89 2gqj n GLU 12 Cb 0.49 -4.36 -0.04 0.00 -1.01 0.00 0.00 31.44 26.52 2gqj n GLU 12 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2gqj h GLU 13 N -0.95 -0.12 -0.36 3.49 4.81 -1.95 -2.84 114.58 116.67 2gqj h GLU 13 Ca -0.28 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 58.80 2gqj h GLU 13 Cb 1.19 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 2gqj h GLU 13 CO 0.29 0.12 -0.41 0.37 -0.73 0.00 0.00 179.01 178.65 2gqj h GLN 14 N -1.01 0.91 -0.63 1.92 4.15 -1.93 -0.55 115.11 117.97 2gqj h GLN 14 Ca -0.01 -0.50 0.03 0.00 0.77 0.00 0.00 58.65 58.94 2gqj h GLN 14 Cb 0.29 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 2gqj h GLN 14 CO 0.02 1.15 0.39 -1.49 -1.93 0.00 0.00 178.83 176.97 2gqj h TRP 15 N 0.71 0.73 -0.04 3.99 6.55 -1.95 -2.69 115.95 123.26 2gqj h TRP 15 Ca 0.05 0.02 -0.06 0.00 0.95 0.00 0.00 58.89 59.86 2gqj h TRP 15 Cb 1.01 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 29.07 2gqj h TRP 15 CO 0.07 0.42 -0.19 1.96 -1.05 0.00 0.00 178.44 179.65 2gqj h GLN 16 N 0.77 0.19 -1.02 0.49 4.20 -1.47 -2.14 115.11 116.14 2gqj h GLN 16 Ca 0.25 -0.16 0.29 0.00 0.06 0.00 0.00 58.65 59.09 2gqj h GLN 16 Cb 0.01 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 2gqj h GLN 16 CO -0.10 0.82 0.90 0.00 -0.67 0.00 0.00 178.83 179.79 2gqj h ARG 17 N -0.38 0.00 0.02 1.46 3.08 -0.94 0.57 114.38 118.19 2gqj h ARG 17 Ca -0.01 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.70 2gqj h ARG 17 Cb 0.86 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.86 2gqj h ARG 17 CO 0.04 0.00 -2.05 0.00 -1.07 0.00 0.00 179.97 176.89 2gqj n ALA 18 N -2.52 1.41 0.10 0.04 0.00 -1.03 -3.12 120.51 115.39 2gqj n ALA 18 Ca 0.22 -0.97 0.05 0.00 0.00 0.00 0.00 53.44 52.74 2gqj n ALA 18 Cb 1.24 -0.53 0.50 0.00 0.00 0.00 0.00 19.45 20.65 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 0.01 1.08 0.00 0.00 2.04 0.80 0.35 117.51 121.79 2gqj h ILE 19 Ca -0.42 -0.19 -0.26 0.00 1.00 0.00 0.00 64.86 64.99 2gqj h ILE 19 Cb 2.08 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.87 2gqj h ILE 19 CO 0.05 0.08 -1.72 0.00 0.00 0.00 0.00 178.15 176.56 2gqj n HIS 20 N -4.48 0.83 0.04 1.37 1.44 -0.60 -3.25 115.22 110.58 2gqj n HIS 20 Ca 0.01 0.29 -0.07 0.00 -2.01 0.00 0.00 57.72 55.94 2gqj n HIS 20 Cb 0.09 -1.11 -0.05 0.00 0.12 0.00 0.00 29.99 29.04 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 -0.20 0.00 -1.40 4.39 -1.37 -3.43 114.58 112.56 2gqj h GLU 21 Ca -0.28 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2gqj h GLU 21 Cb 1.88 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.58 2gqj h GLU 21 CO 0.06 0.09 0.00 0.54 -1.16 0.00 0.00 179.01 178.54 2gqj n ARG 22 N -4.90 0.00 0.11 2.33 1.74 0.12 -5.07 116.66 110.99 2gqj n ARG 22 Ca -0.05 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2gqj n ARG 22 Cb 0.19 -0.51 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 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 2.15 -1.66 3.48 -0.13 0.00 -1.16 -5.02 105.19 102.85 2gqj n GLY 23 Ca 0.00 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.92 1.46 -0.63 1.61 -1.05 -1.25 -4.53 118.70 112.38 2gqj s GLU 24 Ca 0.00 -1.36 0.05 0.00 -0.15 0.00 0.00 54.97 53.51 2gqj s GLU 24 Cb 0.00 0.42 0.19 0.00 -0.44 0.00 0.00 34.13 34.29 2gqj s GLU 24 CO 0.00 -0.58 0.51 0.00 0.95 0.00 0.00 175.26 176.14 2gqj n ALA 25 N -0.35 3.39 -0.58 -0.84 0.00 -1.26 -4.63 120.51 116.23 2gqj n ALA 25 Ca -0.01 -4.28 -0.29 0.00 0.00 0.00 0.00 53.44 48.87 2gqj n ALA 25 Cb 0.63 -0.95 0.24 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.36 2.03 0.05 0.00 -7.23 -1.26 -4.72 120.40 107.91 2gqj s VAL 26 Ca 0.29 0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 60.17 2gqj s VAL 26 Cb 0.01 -2.07 -0.08 0.00 0.56 0.00 0.00 36.38 34.80 2gqj s VAL 26 CO -0.15 -0.01 1.69 0.00 -0.31 0.00 0.00 175.10 176.32 2gqj n PRO 28 N 6.04 0.49 -0.11 0.00 -0.04 -1.26 0.16 135.00 140.28 2gqj n PRO 28 Ca 0.17 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 2gqj n PRO 28 Cb 0.41 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.86 1.18 0.00 0.52 -1.04 -1.26 -4.83 114.28 107.98 2gqj n THR 29 Ca 0.09 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2gqj n THR 29 Cb 0.04 -1.71 0.00 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 -1.67 -3.17 -3.57 0.00 4.13 0.42 -4.94 115.26 106.46 2gqj n ASN 31 Ca 0.00 -0.08 -0.26 0.00 1.68 0.00 0.00 54.58 55.92 2gqj n ASN 31 Cb 0.24 -2.21 -0.16 0.00 -1.54 0.00 0.00 39.78 36.12 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 -2.66 -0.12 0.21 2.41 -7.23 -1.26 -4.63 120.40 107.13 2gqj s VAL 32 Ca 0.08 -0.38 -0.11 0.00 -1.81 0.00 0.00 61.98 59.76 2gqj s VAL 32 Cb -0.04 -0.74 0.04 0.00 0.56 0.00 0.00 36.38 36.21 2gqj s VAL 32 CO 0.10 -0.44 0.58 1.33 -0.31 0.00 0.00 175.10 176.36 2gqj n VAL 33 N 5.27 0.00 -1.46 1.32 0.24 -1.26 -4.78 118.33 117.67 2gqj n VAL 33 Ca -0.06 -0.55 -0.52 0.00 -2.04 0.00 0.00 64.34 61.16 2gqj n VAL 33 Cb 0.47 0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.40 1.13 -0.33 3.34 -1.04 -1.26 -4.70 114.28 111.01 2gqj n THR 34 Ca -0.04 -0.28 0.20 0.00 -2.04 0.00 0.00 64.05 61.88 2gqj n THR 34 Cb 0.39 -0.08 0.38 0.00 -1.82 0.00 0.00 70.33 69.20 2gqj n THR 34 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2gqj h ARG 35 N 1.98 0.02 0.00 -2.82 9.65 -2.01 1.72 114.38 122.91 2gqj h ARG 35 Ca -0.38 -0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.34 2gqj h ARG 35 Cb 1.43 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.98 2gqj h ARG 35 CO 0.61 0.01 -0.73 0.87 2.80 0.00 0.00 179.97 183.53 2gqj h LYS 36 N 0.02 0.00 -5.34 0.20 1.57 -1.98 -3.45 116.57 107.58 2gqj h LYS 36 Ca 0.67 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 59.04 2gqj h LYS 36 Cb 1.53 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.84 2gqj h LYS 36 CO -0.87 0.73 -0.64 0.25 -0.57 0.00 0.00 179.45 178.36 2gqj n THR 37 N -3.62 -1.84 0.03 -0.16 -2.24 0.59 -4.32 114.28 102.71 2gqj n THR 37 Ca -0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2gqj n THR 37 Cb 0.72 -2.93 -0.00 0.00 -2.10 0.00 0.00 70.33 66.02 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 -4.22 0.87 0.10 3.22 -0.00 -1.26 -4.39 117.00 111.31 2gqj n LEU 38 Ca -0.03 0.11 -0.23 0.00 -0.00 0.00 0.00 56.01 55.86 2gqj n LEU 38 Cb 0.57 -0.28 -0.13 0.00 -0.00 0.00 0.00 43.42 43.57 2gqj n LEU 38 CO 0.57 -0.66 -0.10 -0.37 -0.00 0.00 0.00 177.39 176.83 2gqj h VAL 39 N -0.06 1.28 0.01 1.96 -1.51 -1.96 -3.27 116.25 112.71 2gqj h VAL 39 Ca 0.00 -2.51 -0.22 0.00 -1.23 0.00 0.00 66.70 62.75 2gqj h VAL 39 Cb 0.06 2.75 -0.03 0.00 -2.13 0.00 0.00 31.29 31.94 2gqj h VAL 39 CO 0.00 0.76 -1.05 1.23 -1.23 0.00 0.00 177.57 177.28 2gqj h GLY 40 N 0.29 0.03 2.00 5.19 0.00 -1.93 -3.21 103.07 105.44 2gqj h GLY 40 Ca -0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2gqj h GLY 40 CO 0.25 0.07 -0.07 -2.00 0.00 0.00 0.00 176.54 174.79 2gqj h LEU 41 N 0.01 0.00 0.03 3.11 5.85 -1.77 0.43 115.31 122.97 2gqj h LEU 41 Ca -0.03 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2gqj h LEU 41 Cb 1.80 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.83 2gqj h LEU 41 CO 0.14 0.07 -0.29 0.11 -0.34 0.00 0.00 178.44 178.13 2gqj h LYS 42 N 0.00 0.14 0.00 1.25 1.57 -1.61 -0.77 116.57 117.16 2gqj h LYS 42 Ca -0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2gqj h LYS 42 Cb 0.12 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2gqj h LYS 42 CO 0.01 1.01 0.00 0.87 -0.57 0.00 0.00 179.45 180.77 2gqj h LYS 43 N -0.63 0.00 0.00 3.15 1.57 -1.49 -3.15 116.57 116.02 2gqj h LYS 43 Ca -0.04 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 2gqj h LYS 43 Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2gqj h LYS 43 CO 0.05 0.00 -0.77 1.25 -0.57 0.00 0.00 179.45 179.41 2gqj h HIS 44 N 0.00 0.00 -0.30 -1.35 2.76 -0.19 -3.35 115.15 112.72 2gqj h HIS 44 Ca 0.00 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 2gqj h HIS 44 Cb 0.61 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 2gqj h HIS 44 CO 0.00 0.93 0.57 0.00 -1.30 0.00 0.00 177.93 178.14 2gqj h MET 45 N -1.00 0.00 -0.16 5.26 -0.00 -1.19 0.71 114.93 118.56 2gqj h MET 45 Ca -0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.42 2gqj h MET 45 Cb 0.96 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.55 2gqj h MET 45 CO -0.11 0.00 -0.36 1.05 -0.00 0.00 0.00 176.91 177.50 2gqj h GLU 46 N 0.00 0.33 0.00 -0.10 -0.00 -1.68 -3.21 114.58 109.92 2gqj h GLU 46 Ca 0.14 -0.14 -0.06 0.00 -0.00 0.00 0.00 59.36 59.30 2gqj h GLU 46 Cb 1.28 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 30.01 2gqj h GLU 46 CO -0.00 0.65 -1.87 1.33 -0.00 0.00 0.00 179.01 179.12 2gqj n VAL 47 N -4.06 0.22 -0.27 -1.06 0.24 0.20 -4.58 118.33 109.02 2gqj n VAL 47 Ca -0.01 -0.46 0.02 0.00 -2.04 0.00 0.00 64.34 61.85 2gqj n VAL 47 Cb 0.45 -0.03 0.07 0.00 -1.47 0.00 0.00 33.84 32.86 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 0.07 -0.96 0.00 4.15 -1.81 0.65 115.11 117.21 2gqj h GLN 49 Ca 0.31 -0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.88 2gqj h GLN 49 Cb 0.49 -0.02 -0.10 0.00 0.21 0.00 0.00 27.48 28.06 2gqj h GLN 49 CO -0.73 0.04 0.56 1.57 -1.93 0.00 0.00 178.83 178.35 2gqj h LYS 50 N 0.07 0.75 0.01 1.69 2.10 0.12 -1.28 116.57 120.03 2gqj h LYS 50 Ca 0.49 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 59.09 2gqj h LYS 50 Cb 0.91 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2gqj h LYS 50 CO -0.78 0.49 -0.01 -0.07 -2.00 0.00 0.00 179.45 177.09 2gqj h LEU 51 N 0.77 -0.01 -0.63 7.07 3.38 0.20 -3.02 115.31 123.06 2gqj h LEU 51 Ca 0.53 -0.74 0.11 0.00 0.09 0.00 0.00 57.88 57.86 2gqj h LEU 51 Cb 0.74 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 2gqj h LEU 51 CO -0.35 0.75 -0.36 -0.61 0.09 0.00 0.00 178.44 177.96 2gqj h GLN 52 N -0.80 -0.15 0.29 1.13 -0.00 -0.29 -1.39 115.11 113.90 2gqj h GLN 52 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2gqj h GLN 52 Cb 0.75 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.24 2gqj h GLN 52 CO 0.00 -0.10 -0.32 -0.44 0.00 0.00 0.00 178.83 177.97 2gqj h ASP 53 N -0.16 -0.87 -0.98 -0.69 3.32 -1.37 -2.55 116.42 113.13 2gqj h ASP 53 Ca 0.23 0.08 0.22 0.00 0.02 0.00 0.00 57.03 57.58 2gqj h ASP 53 Cb 0.56 0.30 -0.19 0.00 0.22 0.00 0.00 39.33 40.22 2gqj h ASP 53 CO -0.71 -0.45 -0.16 0.00 -1.72 0.00 0.00 179.24 176.20 2gqj n ALA 54 N -2.62 0.32 -0.26 3.45 0.00 -0.59 0.16 120.51 120.96 2gqj n ALA 54 Ca -0.09 1.07 -0.01 0.00 0.00 0.00 0.00 53.44 54.41 2gqj n ALA 54 Cb 0.33 -0.68 0.19 0.00 0.00 0.00 0.00 19.45 19.29 2gqj n ALA 54 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2gqj h LEU 55 N 0.00 0.96 -9.69 0.00 -0.00 -0.98 -3.42 115.31 102.17 2gqj h LEU 55 Ca 0.51 -0.04 -0.53 0.00 -0.00 0.00 0.00 57.88 57.81 2gqj h LEU 55 Cb 0.87 -0.24 0.07 0.00 -0.00 0.00 0.00 40.66 41.36 2gqj h LEU 55 CO -0.98 0.72 0.95 1.17 -0.00 0.00 0.00 178.44 180.30 2gqj n LYS 56 N -4.39 2.71 -0.79 1.13 4.81 0.42 -4.28 118.16 117.77 2gqj n LYS 56 Ca 0.09 0.97 -0.20 0.00 -0.87 0.00 0.00 58.31 58.30 2gqj n LYS 56 Cb 0.05 -2.79 0.17 0.00 0.02 0.00 0.00 35.03 32.48 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 -3.69 0.00 -0.01 0.00 7.27 -1.26 -4.06 117.38 115.63 2gqj n GLN 58 Ca 0.11 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.08 2gqj n GLN 58 Cb 0.40 -0.70 0.05 0.00 2.41 0.00 0.00 30.24 32.40 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2gqj h HIS 59 N 0.00 0.77 0.00 3.69 3.86 -2.00 -3.30 115.15 118.16 2gqj h HIS 59 Ca 0.00 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 2gqj h HIS 59 Cb 0.60 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2gqj h HIS 59 CO 0.00 1.01 -1.16 0.00 0.86 0.00 0.00 177.93 178.64 2gqj n ARG 61 N -1.67 -6.32 -4.07 0.00 5.12 -1.25 -4.99 116.66 103.49 2gqj n ARG 61 Ca -0.01 0.80 -0.35 0.00 -1.93 0.00 0.00 57.85 56.36 2gqj n ARG 61 Cb 0.25 -5.74 -0.09 0.00 -1.16 0.00 0.00 32.46 25.73 2gqj n ARG 61 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2gqj s LYS 62 N -5.51 3.55 -0.06 5.56 2.47 -1.26 -4.81 119.74 119.69 2gqj s LYS 62 Ca 0.02 -0.30 -0.23 0.00 -1.56 0.00 0.00 55.97 53.90 2gqj s LYS 62 Cb -0.01 -3.09 -0.04 0.00 -1.46 0.00 0.00 37.83 33.23 2gqj s LYS 62 CO 0.75 0.54 0.67 -1.14 0.16 0.00 0.00 175.35 176.33 2gqj s GLN 63 N -0.38 4.42 0.06 4.03 2.00 -1.26 -0.61 119.66 127.93 2gqj s GLN 63 Ca 0.09 0.84 0.07 0.00 -2.00 0.00 0.00 55.36 54.36 2gqj s GLN 63 Cb -0.12 -3.44 -0.03 0.00 0.80 0.00 0.00 33.01 30.23 2gqj s GLN 63 CO 0.02 0.10 -0.19 -0.06 -0.50 0.00 0.00 175.29 174.65 2gqj s PHE 64 N 0.69 1.68 -0.30 1.67 0.08 -1.26 -4.96 117.98 115.57 2gqj s PHE 64 Ca 0.36 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.10 2gqj s PHE 64 Cb -0.18 -0.97 0.46 0.00 -0.57 0.00 0.00 43.02 41.76 2gqj s PHE 64 CO 0.17 0.12 1.31 1.63 -0.10 0.00 0.00 175.22 178.35 2gqj n LYS 65 N 1.60 2.84 -3.24 0.44 5.02 -1.26 -4.59 118.16 118.97 2gqj n LYS 65 Ca -0.18 -3.77 0.04 0.00 -2.02 0.00 0.00 58.31 52.37 2gqj n LYS 65 Cb 0.54 -2.07 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 2gqj n LYS 65 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2gqj s SER 66 N -3.23 -0.49 0.24 4.39 0.15 -1.26 -5.00 113.70 108.51 2gqj s SER 66 Ca 0.48 0.46 -0.09 0.00 0.70 0.00 0.00 55.95 57.50 2gqj s SER 66 Cb 0.41 1.47 0.39 0.00 -1.71 0.00 0.00 66.02 66.58 2gqj s SER 66 CO 0.00 -0.09 1.61 0.11 1.20 0.00 0.00 173.24 176.07 2gqj h LYS 67 N 7.72 0.03 -0.92 5.44 1.57 -1.98 0.51 116.57 128.94 2gqj h LYS 67 Ca -0.15 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.74 2gqj h LYS 67 Cb 1.15 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.38 2gqj h LYS 67 CO -0.00 0.02 0.59 0.00 -0.57 0.00 0.00 179.45 179.49 2gqj h ALA 68 N 1.77 1.63 -0.24 3.86 0.00 -1.99 -1.20 119.26 123.09 2gqj h ALA 68 Ca 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2gqj h ALA 68 Cb 0.67 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2gqj h ALA 68 CO -0.76 0.16 0.14 0.78 0.00 0.00 0.00 179.25 179.57 2gqj h GLY 69 N 0.89 0.34 0.93 0.00 0.00 -0.39 -2.12 103.07 102.72 2gqj h GLY 69 Ca 0.44 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 2gqj h GLY 69 CO -0.20 0.14 0.07 -2.00 0.00 0.00 0.00 176.54 174.54 2gqj h LEU 70 N 0.29 0.60 -1.00 3.11 5.85 -0.97 0.16 115.31 123.36 2gqj h LEU 70 Ca 0.08 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.68 2gqj h LEU 70 Cb 0.01 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 40.80 2gqj h LEU 70 CO -0.02 0.70 0.62 0.78 -0.34 0.00 0.00 178.44 180.18 2gqj h ASN 71 N 0.47 0.90 0.16 1.25 2.35 -1.10 0.29 115.58 119.91 2gqj h ASN 71 Ca 0.12 0.05 -0.24 0.00 -0.55 0.00 0.00 56.30 55.68 2gqj h ASN 71 Cb 0.35 -0.12 0.03 0.00 0.05 0.00 0.00 38.32 38.62 2gqj h ASN 71 CO 0.01 0.46 -1.05 0.22 -1.65 0.00 0.00 177.43 175.42 2gqj h TYR 72 N 0.96 0.74 0.83 1.19 3.20 -1.16 -3.31 116.97 119.42 2gqj h TYR 72 Ca 0.50 -0.52 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 2gqj h TYR 72 Cb 0.53 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.77 2gqj h TYR 72 CO -0.01 1.39 -0.41 1.25 -1.64 0.00 0.00 178.16 178.74 2gqj h HIS 73 N -0.12 -1.08 -0.93 -3.82 -0.00 -0.09 0.33 115.15 109.44 2gqj h HIS 73 Ca -0.18 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.26 2gqj h HIS 73 Cb 1.81 0.36 -0.11 0.00 -0.00 0.00 0.00 27.41 29.47 2gqj h HIS 73 CO 0.16 -0.66 -0.54 2.41 -0.00 0.00 0.00 177.93 179.30 2gqj n THR 74 N -5.58 -0.63 -0.07 6.26 -1.04 0.97 0.00 114.28 114.19 2gqj n THR 74 Ca -0.15 2.25 -0.11 0.00 -2.04 0.00 0.00 64.05 63.99 2gqj n THR 74 Cb 0.46 -2.79 -0.05 0.00 -1.82 0.00 0.00 70.33 66.13 2gqj n THR 74 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2gqj h MET 75 N 0.00 0.36 -0.18 -2.82 -1.53 -1.56 1.20 114.93 110.40 2gqj h MET 75 Ca 0.16 -0.11 0.03 0.00 -3.44 0.00 0.00 59.70 56.34 2gqj h MET 75 Cb 0.39 -0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 31.35 2gqj h MET 75 CO -0.88 0.54 -0.46 0.00 0.14 0.00 0.00 176.91 176.26 2gqj h ALA 76 N 0.81 -0.79 0.00 0.39 0.00 0.20 -3.16 119.26 116.71 2gqj h ALA 76 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2gqj h ALA 76 Cb 0.37 0.98 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2gqj h ALA 76 CO 0.01 -0.97 -0.15 0.93 0.00 0.00 0.00 179.25 179.07 2gqj h GLU 77 N -0.44 0.00 -5.17 0.00 4.39 -0.47 -3.42 114.58 109.48 2gqj h GLU 77 Ca 0.04 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.07 2gqj h GLU 77 Cb 0.55 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.03 2gqj h GLU 77 CO -0.40 0.26 0.76 -1.01 -1.16 0.00 0.00 179.01 177.46 2gqj s HIS 78 N -1.84 2.97 0.04 4.33 3.76 0.41 -4.74 115.29 120.22 2gqj s HIS 78 Ca -0.08 -1.13 -0.01 0.00 -0.15 0.00 0.00 55.06 53.68 2gqj s HIS 78 Cb 0.00 -4.29 -0.00 0.00 1.11 0.00 0.00 32.58 29.39 2gqj s HIS 78 CO 0.21 -1.54 -0.03 0.45 -0.85 0.00 0.00 174.74 172.98 2gqj n SER 79 N 6.94 0.71 -3.17 1.40 2.88 -1.19 -3.41 113.62 117.78 2gqj n SER 79 Ca 0.16 0.10 -0.45 0.00 -1.33 0.00 0.00 58.87 57.34 2gqj n SER 79 Cb 0.48 -0.26 -0.07 0.00 -0.75 0.00 0.00 64.21 63.61 2gqj n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gqj n ALA 80 N -3.15 -0.73 -1.57 -1.46 0.00 -1.26 -4.84 120.51 107.49 2gqj n ALA 80 Ca -0.01 0.30 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 2gqj n ALA 80 Cb 0.04 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.21 2gqj n ALA 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2gqj s LYS 81 N 2.41 2.83 0.29 0.00 0.00 -1.26 -4.98 119.74 119.02 2gqj s LYS 81 Ca 0.73 1.57 -0.29 0.00 0.00 0.00 0.00 55.97 57.98 2gqj s LYS 81 Cb -1.02 -1.94 -0.10 0.00 0.00 0.00 0.00 37.83 34.78 2gqj s LYS 81 CO 0.54 -1.26 1.24 -1.25 0.00 0.00 0.00 175.35 174.62 2gqj s PRO 82 N -3.77 4.45 0.74 1.78 0.04 -1.26 -5.04 135.00 131.94 2gqj s PRO 82 Ca 0.71 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.75 2gqj s PRO 82 Cb -0.24 -3.13 0.11 0.00 0.04 0.00 0.00 34.50 31.27 2gqj s PRO 82 CO 0.38 -0.07 1.03 -1.54 0.04 0.00 0.00 177.00 176.83 2gqj s SER 83 N -0.44 4.39 -0.44 6.66 1.04 -1.26 -5.08 113.70 118.58 2gqj s SER 83 Ca 0.49 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.99 2gqj s SER 83 Cb -0.37 -0.52 0.15 0.00 0.10 0.00 0.00 66.02 65.39 2gqj s SER 83 CO 0.46 -1.84 0.29 -0.62 0.98 0.00 0.00 173.24 172.51 2gqj s ASP 84 N -4.66 2.94 0.24 7.02 -1.08 -1.26 -4.98 116.67 114.89 2gqj s ASP 84 Ca 0.65 -2.77 -0.06 0.00 -0.52 0.00 0.00 52.55 49.85 2gqj s ASP 84 Cb -0.07 -0.75 0.42 0.00 -1.46 0.00 0.00 42.92 41.05 2gqj s ASP 84 CO 0.45 -0.23 1.72 0.00 0.52 0.00 0.00 175.17 177.63 2gqj h ALA 85 N 6.34 0.97 -0.63 3.66 0.00 -1.99 -2.16 119.26 125.45 2gqj h ALA 85 Ca 0.11 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.23 2gqj h ALA 85 Cb 0.91 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 2gqj h ALA 85 CO 0.42 -0.24 -0.43 0.93 0.00 0.00 0.00 179.25 179.93 2gqj h GLU 86 N 0.39 -0.19 -6.19 0.00 4.39 -2.06 -3.41 114.58 107.51 2gqj h GLU 86 Ca 0.39 0.01 -0.70 0.00 0.34 0.00 0.00 59.36 59.40 2gqj h GLU 86 Cb 0.59 0.04 0.07 0.00 -0.10 0.00 0.00 28.75 29.35 2gqj h GLU 86 CO -0.41 -0.13 0.19 0.00 -1.16 0.00 0.00 179.01 177.51 2gqj n ALA 87 N -3.18 -1.87 -1.34 3.43 0.00 -0.81 -4.72 120.51 112.01 2gqj n ALA 87 Ca 0.02 0.52 -0.51 0.00 0.00 0.00 0.00 53.44 53.47 2gqj n ALA 87 Cb 0.35 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 17.81 2gqj n ALA 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gqj n SER 88 N 2.01 -0.35 -4.69 0.00 2.88 -1.26 -4.95 113.62 107.27 2gqj n SER 88 Ca 0.18 1.05 -0.24 0.00 -1.33 0.00 0.00 58.87 58.53 2gqj n SER 88 Cb 0.18 -0.85 -0.07 0.00 -0.75 0.00 0.00 64.21 62.73 2gqj n SER 88 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2gqj s GLU 89 N -0.27 2.46 0.03 -1.46 2.56 -1.26 -5.06 118.70 115.69 2gqj s GLU 89 Ca 0.76 -1.25 -0.07 0.00 0.00 0.00 0.00 54.97 54.41 2gqj s GLU 89 Cb -1.07 -2.30 -0.03 0.00 2.00 0.00 0.00 34.13 32.74 2gqj s GLU 89 CO 0.52 0.40 1.11 0.78 -0.56 0.00 0.00 175.26 177.51 2gqj h GLY 90 N 2.06 -1.59 0.00 -1.50 0.00 -2.00 -3.48 103.07 96.55 2gqj h GLY 90 Ca -0.46 0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2gqj h GLY 90 CO 0.60 -0.56 0.00 0.61 0.00 0.00 0.00 176.54 177.19 2gqj n GLY 91 N -1.08 0.35 3.54 4.60 0.00 -1.26 -5.06 105.19 106.28 2gqj n GLY 91 Ca -0.01 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.89 0.46 0.97 1.61 2.56 -1.26 -5.17 118.70 116.97 2gqj s GLU 92 Ca 0.00 1.14 -0.12 0.00 0.00 0.00 0.00 54.97 55.99 2gqj s GLU 92 Cb 0.00 0.69 0.17 0.00 2.00 0.00 0.00 34.13 36.99 2gqj s GLU 92 CO 0.00 -0.16 1.11 -1.12 -0.56 0.00 0.00 175.26 174.53 2gqj s SER 93 N 2.70 2.93 -0.27 -1.70 0.01 -1.26 -5.05 113.70 111.06 2gqj s SER 93 Ca -0.05 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2gqj s SER 93 Cb -0.09 -1.77 0.08 0.00 0.21 0.00 0.00 66.02 64.44 2gqj s SER 93 CO -0.18 -2.94 0.03 -0.83 0.41 0.00 0.00 173.24 169.73 2gqj s GLY 94 N -3.63 1.24 0.92 3.44 0.00 -1.26 -5.13 107.32 102.90 2gqj s GLY 94 Ca 0.65 -1.58 -0.12 0.00 0.00 0.00 0.00 44.72 43.67 2gqj s GLY 94 CO 0.56 1.25 1.09 2.56 0.00 0.00 0.00 173.10 178.57 2gqj s PRO 95 N 1.46 1.06 -0.09 2.90 0.04 -1.26 -5.05 135.00 134.06 2gqj s PRO 95 Ca 0.03 0.75 -0.02 0.00 0.04 0.00 0.00 61.00 61.80 2gqj s PRO 95 Cb -0.18 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2gqj s PRO 95 CO -0.14 -2.36 0.02 -1.12 0.04 0.00 0.00 177.00 173.44 2gqj s SER 96 N -3.43 5.37 0.42 6.66 0.01 -1.26 -5.12 113.70 116.36 2gqj s SER 96 Ca 0.64 0.18 0.08 0.00 1.31 0.00 0.00 55.95 58.16 2gqj s SER 96 Cb -0.18 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.50 2gqj s SER 96 CO 0.57 0.38 0.52 -0.55 0.41 0.00 0.00 173.24 174.57 2gqj s SER 97 N -0.88 5.46 0.00 2.44 0.15 -1.26 -5.37 113.70 114.24 2gqj s SER 97 Ca 0.13 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.29 2gqj s SER 97 Cb -0.11 -0.61 0.03 0.00 -1.71 0.00 0.00 66.02 63.61 2gqj s SER 97 CO 0.02 -0.74 0.60 0.61 1.20 0.00 0.00 173.24 174.94