#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 -0.30 0.01 1.61 0.15 -1.26 -5.18 113.70 108.73 2gqj s SER 2 Ca 0.00 0.43 -0.28 0.00 0.70 0.00 0.00 55.95 56.80 2gqj s SER 2 Cb 0.00 1.31 0.08 0.00 -1.71 0.00 0.00 66.02 65.70 2gqj s SER 2 CO 0.00 -0.06 0.71 -0.55 1.20 0.00 0.00 173.24 174.54 2gqj s SER 3 N 2.03 -0.57 0.00 5.45 0.15 -1.26 -5.13 113.70 114.38 2gqj s SER 3 Ca -0.02 0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2gqj s SER 3 Cb -0.03 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2gqj s SER 3 CO -0.16 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2gqj n GLY 4 N 0.33 -0.23 3.64 9.45 0.00 -1.26 -5.13 105.19 111.99 2gqj n GLY 4 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 2gqj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gqj s SER 5 N -0.43 -0.24 0.09 1.61 0.15 -1.26 -5.19 113.70 108.44 2gqj s SER 5 Ca 0.00 0.45 -0.13 0.00 0.70 0.00 0.00 55.95 56.96 2gqj s SER 5 Cb 0.00 0.45 0.02 0.00 -1.71 0.00 0.00 66.02 64.78 2gqj s SER 5 CO 0.00 -0.08 0.31 -0.55 1.20 0.00 0.00 173.24 174.12 2gqj s SER 6 N 0.06 -0.09 1.11 5.45 0.15 -1.26 -5.17 113.70 113.95 2gqj s SER 6 Ca 0.05 -0.40 -0.17 0.00 0.70 0.00 0.00 55.95 56.14 2gqj s SER 6 Cb -0.05 0.40 0.24 0.00 -1.71 0.00 0.00 66.02 64.91 2gqj s SER 6 CO -0.11 -0.76 1.12 -0.83 1.20 0.00 0.00 173.24 173.86 2gqj s GLY 7 N -2.66 1.59 0.00 9.45 0.00 -1.26 -4.88 107.32 109.56 2gqj s GLY 7 Ca 0.02 -0.77 0.11 0.00 0.00 0.00 0.00 44.72 44.09 2gqj s GLY 7 CO -0.10 0.01 1.11 -1.55 0.00 0.00 0.00 173.10 172.58 2gqj n PRO 8 N -4.48 0.49 -0.65 2.90 -0.04 -1.26 -4.04 135.00 127.93 2gqj n PRO 8 Ca 0.10 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2gqj n PRO 8 Cb 0.59 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.02 2.49 0.00 0.55 0.00 -1.26 -3.90 105.19 103.04 2gqj n GLY 9 Ca 0.09 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 2.05 -3.33 3.56 -0.02 0.00 -1.26 -4.78 105.19 101.42 2gqj n GLY 10 Ca 0.18 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 2gqj n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqj s PRO 11 N -1.84 2.55 -1.28 1.61 0.04 -1.26 -3.45 135.00 131.37 2gqj s PRO 11 Ca 0.00 -0.32 -0.08 0.00 0.04 0.00 0.00 61.00 60.64 2gqj s PRO 11 Cb 0.00 -5.07 0.01 0.00 0.04 0.00 0.00 34.50 29.48 2gqj s PRO 11 CO 0.00 -3.41 1.00 0.39 0.04 0.00 0.00 177.00 175.03 2gqj n GLU 12 N 8.83 -6.88 -0.08 4.56 1.02 -1.26 -4.92 120.64 121.91 2gqj n GLU 12 Ca 0.40 0.78 -0.22 0.00 -0.02 0.00 0.00 57.16 58.10 2gqj n GLU 12 Cb 0.47 -5.61 -0.12 0.00 -0.02 0.00 0.00 31.44 26.16 2gqj n GLU 12 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2gqj n GLU 13 N -4.51 0.66 -0.01 3.49 1.02 -1.22 -3.65 120.64 116.42 2gqj n GLU 13 Ca -0.01 0.31 -0.11 0.00 -0.02 0.00 0.00 57.16 57.32 2gqj n GLU 13 Cb 0.57 -1.63 -0.14 0.00 -0.02 0.00 0.00 31.44 30.21 2gqj n GLU 13 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2gqj h GLN 14 N -0.38 0.06 0.00 3.49 -0.00 -1.82 -2.86 115.11 113.61 2gqj h GLN 14 Ca -0.50 -0.11 -0.05 0.00 -0.00 0.00 0.00 58.65 58.00 2gqj h GLN 14 Cb 1.76 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 29.28 2gqj h GLN 14 CO -0.11 0.69 -0.22 -1.49 0.00 0.00 0.00 178.83 177.69 2gqj h TRP 15 N 0.02 0.00 0.02 3.99 6.55 -1.91 -3.24 115.95 121.37 2gqj h TRP 15 Ca -0.30 0.00 -0.25 0.00 0.95 0.00 0.00 58.89 59.29 2gqj h TRP 15 Cb 2.01 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 30.28 2gqj h TRP 15 CO 0.02 0.22 -1.38 0.37 -1.05 0.00 0.00 178.44 176.62 2gqj h GLN 16 N 0.00 0.04 -1.20 0.49 -0.00 -1.68 -3.26 115.11 109.49 2gqj h GLN 16 Ca -0.00 -0.07 0.35 0.00 -0.00 0.00 0.00 58.65 58.93 2gqj h GLN 16 Cb 0.87 0.03 -0.05 0.00 0.00 0.00 0.00 27.48 28.33 2gqj h GLN 16 CO 0.03 1.03 0.95 0.07 0.00 0.00 0.00 178.83 180.92 2gqj h ARG 17 N -0.85 0.00 0.00 1.69 0.11 -1.58 1.42 114.38 115.18 2gqj h ARG 17 Ca -0.36 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.57 2gqj h ARG 17 Cb 1.41 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.47 2gqj h ARG 17 CO -0.17 0.00 -1.17 0.00 0.10 0.00 0.00 179.97 178.73 2gqj h ALA 18 N 1.22 0.65 -0.40 0.08 0.00 -1.70 -2.76 119.26 116.35 2gqj h ALA 18 Ca 0.57 -0.73 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2gqj h ALA 18 Cb 2.47 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 20.42 2gqj h ALA 18 CO -0.01 0.83 -0.15 0.82 0.00 0.00 0.00 179.25 180.74 2gqj h ILE 19 N 0.00 1.26 0.00 0.00 2.04 0.19 0.16 117.51 121.16 2gqj h ILE 19 Ca -0.12 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.53 2gqj h ILE 19 Cb 1.53 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2gqj h ILE 19 CO 0.05 0.41 -1.10 0.00 0.00 0.00 0.00 178.15 177.51 2gqj n HIS 20 N -4.15 0.47 -0.07 1.37 1.44 -0.88 -2.20 115.22 111.20 2gqj n HIS 20 Ca 0.01 0.14 -0.07 0.00 -2.01 0.00 0.00 57.72 55.78 2gqj n HIS 20 Cb 0.38 -0.62 -0.04 0.00 0.12 0.00 0.00 29.99 29.83 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 0.00 0.00 -1.40 4.39 -1.30 -3.43 114.58 112.84 2gqj h GLU 21 Ca 0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 2gqj h GLU 21 Cb 0.84 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.43 2gqj h GLU 21 CO 0.00 0.31 -2.28 2.89 -1.16 0.00 0.00 179.01 178.77 2gqj n ARG 22 N -4.64 0.63 0.00 2.33 1.85 0.43 -5.06 116.66 112.19 2gqj n ARG 22 Ca -0.09 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2gqj n ARG 22 Cb 0.28 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 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 2.36 1.18 3.19 2.89 0.00 -0.42 -5.01 105.19 109.38 2gqj n GLY 23 Ca -0.39 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 1.03 -0.62 1.61 1.03 -1.25 -4.24 118.70 116.25 2gqj s GLU 24 Ca 0.00 -1.50 0.00 0.00 0.03 0.00 0.00 54.97 53.51 2gqj s GLU 24 Cb 0.00 0.03 0.16 0.00 -0.80 0.00 0.00 34.13 33.52 2gqj s GLU 24 CO 0.00 -0.22 0.41 0.00 -1.33 0.00 0.00 175.26 174.12 2gqj s ALA 25 N -3.89 3.56 1.07 -0.84 0.00 -1.26 -4.54 121.76 115.86 2gqj s ALA 25 Ca 0.25 -3.36 -0.12 0.00 0.00 0.00 0.00 51.96 48.72 2gqj s ALA 25 Cb 0.07 -2.47 0.23 0.00 0.00 0.00 0.00 23.12 20.95 2gqj s ALA 25 CO 0.03 -2.08 1.06 0.14 0.00 0.00 0.00 175.76 174.91 2gqj s VAL 26 N -0.36 2.11 0.05 0.00 -7.23 -1.26 -4.74 120.40 108.97 2gqj s VAL 26 Ca 0.18 0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 60.09 2gqj s VAL 26 Cb -0.20 -2.24 -0.08 0.00 0.56 0.00 0.00 36.38 34.41 2gqj s VAL 26 CO -0.04 -0.05 1.78 0.00 -0.31 0.00 0.00 175.10 176.49 2gqj n PRO 28 N 6.38 0.49 0.00 0.00 -0.04 -1.26 0.96 135.00 141.53 2gqj n PRO 28 Ca 0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2gqj n PRO 28 Cb 0.40 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.55 0.98 0.21 0.52 -1.04 -1.26 -4.86 114.28 108.28 2gqj n THR 29 Ca 0.01 0.21 0.02 0.00 -2.04 0.00 0.00 64.05 62.25 2gqj n THR 29 Cb 0.00 -1.70 -0.03 0.00 -1.82 0.00 0.00 70.33 66.79 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 -1.15 -2.91 -3.50 0.00 4.13 0.27 -4.92 115.26 107.18 2gqj n ASN 31 Ca 0.01 -0.60 -0.02 0.00 1.68 0.00 0.00 54.58 55.65 2gqj n ASN 31 Cb 0.08 -4.85 -0.05 0.00 -1.54 0.00 0.00 39.78 33.42 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 -3.34 -0.90 0.14 2.41 -7.23 -1.26 -4.62 120.40 105.59 2gqj s VAL 32 Ca 0.09 0.02 -0.20 0.00 -1.81 0.00 0.00 61.98 60.08 2gqj s VAL 32 Cb -0.01 -0.93 0.07 0.00 0.56 0.00 0.00 36.38 36.07 2gqj s VAL 32 CO 0.69 0.00 0.94 1.33 -0.31 0.00 0.00 175.10 177.75 2gqj n VAL 33 N 5.43 0.00 -1.01 1.32 0.24 -1.26 -4.61 118.33 118.44 2gqj n VAL 33 Ca -0.08 -0.45 -0.35 0.00 -2.04 0.00 0.00 64.34 61.42 2gqj n VAL 33 Cb 0.50 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.66 1.17 -0.40 3.34 -1.04 -1.26 -4.63 114.28 110.79 2gqj n THR 34 Ca -0.01 -0.29 0.36 0.00 -2.04 0.00 0.00 64.05 62.07 2gqj n THR 34 Cb 0.51 0.00 0.70 0.00 -1.82 0.00 0.00 70.33 69.73 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 0.96 0.09 0.00 -2.82 3.08 -2.02 1.11 114.38 114.78 2gqj h ARG 35 Ca -0.23 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.69 2gqj h ARG 35 Cb 1.02 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2gqj h ARG 35 CO 0.41 0.06 -1.29 0.87 -1.07 0.00 0.00 179.97 178.96 2gqj h LYS 36 N 0.09 0.00 -6.25 0.04 1.57 -1.99 -3.48 116.57 106.54 2gqj h LYS 36 Ca 0.67 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.99 2gqj h LYS 36 Cb 2.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.72 2gqj h LYS 36 CO -0.12 0.22 -0.84 0.25 -0.57 0.00 0.00 179.45 178.38 2gqj n THR 37 N -2.84 -3.68 0.03 -0.16 -2.24 0.38 -4.47 114.28 101.30 2gqj n THR 37 Ca -0.07 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2gqj n THR 37 Cb 0.76 -3.28 0.00 0.00 -2.10 0.00 0.00 70.33 65.72 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 -4.36 0.20 -0.02 3.22 -0.00 -1.26 -4.56 117.00 110.22 2gqj n LEU 38 Ca -0.26 0.10 -0.16 0.00 -0.00 0.00 0.00 56.01 55.69 2gqj n LEU 38 Cb 0.66 -0.01 -0.11 0.00 -0.00 0.00 0.00 43.42 43.96 2gqj n LEU 38 CO 0.72 -0.59 0.35 -0.37 -0.00 0.00 0.00 177.39 177.50 2gqj h VAL 39 N 0.00 1.48 0.00 1.96 -1.51 -1.97 -3.31 116.25 112.90 2gqj h VAL 39 Ca 0.00 -1.95 -0.19 0.00 -1.23 0.00 0.00 66.70 63.33 2gqj h VAL 39 Cb 0.00 2.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 2gqj h VAL 39 CO 0.00 0.55 -0.85 1.23 -1.23 0.00 0.00 177.57 177.27 2gqj h GLY 40 N -0.30 0.16 0.05 5.19 0.00 -1.95 -3.23 103.07 102.99 2gqj h GLY 40 Ca -0.04 -0.28 0.20 0.00 0.00 0.00 0.00 47.33 47.20 2gqj h GLY 40 CO 0.08 0.25 0.56 -2.00 0.00 0.00 0.00 176.54 175.43 2gqj h LEU 41 N 0.08 0.68 0.08 3.11 5.85 -1.81 0.65 115.31 123.94 2gqj h LEU 41 Ca -0.03 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2gqj h LEU 41 Cb 1.47 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2gqj h LEU 41 CO 0.12 0.20 -0.04 0.11 -0.34 0.00 0.00 178.44 178.50 2gqj h LYS 42 N 0.67 -0.10 0.00 1.25 1.57 -1.65 -1.97 116.57 116.34 2gqj h LYS 42 Ca 0.58 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.36 2gqj h LYS 42 Cb 0.95 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 2gqj h LYS 42 CO -0.42 0.42 -0.02 0.87 -0.57 0.00 0.00 179.45 179.74 2gqj h LYS 43 N -0.71 0.00 0.02 3.15 6.56 -1.37 -3.02 116.57 121.20 2gqj h LYS 43 Ca -0.01 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2gqj h LYS 43 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 2gqj h LYS 43 CO 0.02 0.02 -0.01 1.25 -2.06 0.00 0.00 179.45 178.67 2gqj h HIS 44 N 0.00 -0.02 -1.43 -1.35 2.76 0.33 -3.31 115.15 112.13 2gqj h HIS 44 Ca -0.00 -0.00 0.41 0.00 -2.20 0.00 0.00 60.37 58.58 2gqj h HIS 44 Cb 0.10 0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.01 2gqj h HIS 44 CO 0.00 -0.01 1.27 0.00 -1.30 0.00 0.00 177.93 177.89 2gqj h MET 45 N -0.70 0.00 -0.31 5.26 -0.00 -1.28 0.58 114.93 118.49 2gqj h MET 45 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 59.70 59.76 2gqj h MET 45 Cb 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 31.53 2gqj h MET 45 CO 0.00 0.00 -0.44 0.93 -0.00 0.00 0.00 176.91 177.40 2gqj h GLU 46 N 0.00 -0.38 0.15 -0.10 4.39 -1.62 -2.78 114.58 114.25 2gqj h GLU 46 Ca 0.68 0.03 -0.31 0.00 0.34 0.00 0.00 59.36 60.09 2gqj h GLU 46 Cb 3.21 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 31.95 2gqj h GLU 46 CO -0.01 -0.25 -1.56 -0.39 -1.16 0.00 0.00 179.01 175.64 2gqj h VAL 47 N -0.39 1.00 -0.62 3.13 -1.51 -1.11 -3.38 116.25 113.38 2gqj h VAL 47 Ca 0.11 -2.46 0.10 0.00 -1.23 0.00 0.00 66.70 63.21 2gqj h VAL 47 Cb 0.60 2.76 -0.10 0.00 -2.13 0.00 0.00 31.29 32.42 2gqj h VAL 47 CO -0.52 0.78 -0.23 0.00 -1.23 0.00 0.00 177.57 176.37 2gqj h GLN 49 N 0.00 -0.14 -0.49 0.00 4.15 -1.66 0.22 115.11 117.18 2gqj h GLN 49 Ca 0.22 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.74 2gqj h GLN 49 Cb 0.37 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.01 2gqj h GLN 49 CO -0.61 -0.09 -0.00 0.87 -1.93 0.00 0.00 178.83 177.06 2gqj h LYS 50 N -0.15 0.11 -0.01 1.69 1.57 0.11 -2.18 116.57 117.71 2gqj h LYS 50 Ca 0.23 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2gqj h LYS 50 Cb 0.51 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2gqj h LYS 50 CO -0.61 0.07 0.01 -0.07 -0.57 0.00 0.00 179.45 178.28 2gqj h LEU 51 N 0.11 0.01 -0.70 2.94 3.38 -0.64 -2.96 115.31 117.46 2gqj h LEU 51 Ca 0.25 -0.10 0.19 0.00 0.09 0.00 0.00 57.88 58.30 2gqj h LEU 51 Cb 0.37 -0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.98 2gqj h LEU 51 CO -0.41 0.11 -0.00 1.67 0.09 0.00 0.00 178.44 179.90 2gqj n GLN 52 N -5.03 -0.06 -0.04 1.13 7.27 0.61 0.20 117.38 121.45 2gqj n GLN 52 Ca -0.07 1.05 -0.09 0.00 0.07 0.00 0.00 57.00 57.96 2gqj n GLN 52 Cb 0.08 -1.66 -0.03 0.00 2.41 0.00 0.00 30.24 31.03 2gqj n GLN 52 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2gqj h ASP 53 N 0.00 0.02 0.05 1.69 3.58 -1.46 -0.70 116.42 119.60 2gqj h ASP 53 Ca 0.42 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.91 2gqj h ASP 53 Cb 0.84 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 2gqj h ASP 53 CO -0.66 0.04 -0.18 0.00 -2.88 0.00 0.00 179.24 175.55 2gqj h ALA 54 N 1.14 -0.27 -1.00 -0.78 0.00 0.21 -2.28 119.26 116.28 2gqj h ALA 54 Ca 0.09 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2gqj h ALA 54 Cb 0.08 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2gqj h ALA 54 CO -0.11 -0.69 0.64 -0.07 0.00 0.00 0.00 179.25 179.02 2gqj h LEU 55 N -0.33 1.01 -8.62 0.00 -0.00 -1.11 -3.41 115.31 102.84 2gqj h LEU 55 Ca 0.04 0.02 -0.70 0.00 -0.00 0.00 0.00 57.88 57.25 2gqj h LEU 55 Cb 0.37 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2gqj h LEU 55 CO -0.14 0.61 1.28 1.17 -0.00 0.00 0.00 178.44 181.37 2gqj n LYS 56 N -4.54 0.99 -0.15 1.13 4.81 -0.29 -4.54 118.16 115.58 2gqj n LYS 56 Ca 0.16 0.30 -0.14 0.00 -0.87 0.00 0.00 58.31 57.77 2gqj n LYS 56 Cb 0.24 -2.26 0.13 0.00 0.02 0.00 0.00 35.03 33.15 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 -3.30 0.09 -0.11 0.00 3.00 -1.26 -3.82 117.38 111.98 2gqj n GLN 58 Ca 0.06 0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.96 2gqj n GLN 58 Cb 0.27 -0.66 -0.02 0.00 0.00 0.00 0.00 30.24 29.83 2gqj n GLN 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2gqj h HIS 59 N -0.16 1.12 -0.01 1.08 3.86 -2.01 -3.18 115.15 115.85 2gqj h HIS 59 Ca -0.10 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2gqj h HIS 59 Cb 0.97 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.21 2gqj h HIS 59 CO -0.02 1.18 -0.56 0.00 0.86 0.00 0.00 177.93 179.38 2gqj n ARG 61 N -0.42 -0.83 -4.10 0.00 1.74 -1.21 -4.87 116.66 106.97 2gqj n ARG 61 Ca 0.07 0.09 -0.23 0.00 -0.77 0.00 0.00 57.85 57.01 2gqj n ARG 61 Cb 0.40 -3.08 -0.05 0.00 -1.02 0.00 0.00 32.46 28.72 2gqj n ARG 61 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2gqj s LYS 62 N -5.41 2.93 0.06 5.56 2.20 -1.26 -4.77 119.74 119.04 2gqj s LYS 62 Ca 0.46 -0.98 -0.19 0.00 -0.36 0.00 0.00 55.97 54.91 2gqj s LYS 62 Cb -0.27 -2.60 -0.06 0.00 -1.51 0.00 0.00 37.83 33.38 2gqj s LYS 62 CO 0.70 0.43 0.54 -1.14 -0.36 0.00 0.00 175.35 175.53 2gqj s GLN 63 N -3.57 4.16 0.02 4.03 -0.44 -1.26 -1.92 119.66 120.68 2gqj s GLN 63 Ca 0.32 0.68 0.06 0.00 -2.50 0.00 0.00 55.36 53.93 2gqj s GLN 63 Cb -0.09 -3.24 -0.02 0.00 -1.64 0.00 0.00 33.01 28.02 2gqj s GLN 63 CO 0.24 0.64 -0.18 -0.06 0.50 0.00 0.00 175.29 176.43 2gqj s PHE 64 N -1.06 1.63 -0.47 1.67 0.40 -1.26 -5.02 117.98 113.87 2gqj s PHE 64 Ca 0.28 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.31 2gqj s PHE 64 Cb -0.19 -1.01 0.58 0.00 0.51 0.00 0.00 43.02 42.91 2gqj s PHE 64 CO 0.18 0.03 1.83 1.63 0.70 0.00 0.00 175.22 179.59 2gqj n LYS 65 N 2.21 2.35 -3.58 0.44 4.01 -1.26 -4.89 118.16 117.43 2gqj n LYS 65 Ca -0.16 -3.17 -0.01 0.00 -0.51 0.00 0.00 58.31 54.45 2gqj n LYS 65 Cb 0.54 -2.14 -0.06 0.00 -0.51 0.00 0.00 35.03 32.85 2gqj n LYS 65 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2gqj s SER 66 N -1.78 -0.54 0.06 4.39 0.15 -1.26 -4.99 113.70 109.74 2gqj s SER 66 Ca 0.56 0.83 -0.20 0.00 0.70 0.00 0.00 55.95 57.84 2gqj s SER 66 Cb 0.47 1.34 -0.12 0.00 -1.71 0.00 0.00 66.02 66.01 2gqj s SER 66 CO 0.06 -0.13 1.45 0.50 1.20 0.00 0.00 173.24 176.32 2gqj h LYS 67 N 6.46 0.36 -0.91 5.44 3.64 -2.00 -2.75 116.57 126.82 2gqj h LYS 67 Ca -0.25 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.01 2gqj h LYS 67 Cb 1.17 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 2gqj h LYS 67 CO 0.17 0.63 0.60 0.00 -2.27 0.00 0.00 179.45 178.57 2gqj h ALA 68 N 0.72 1.39 -0.20 5.00 0.00 -2.01 -2.71 119.26 121.46 2gqj h ALA 68 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gqj h ALA 68 Cb 0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2gqj h ALA 68 CO 0.02 0.54 0.10 0.78 0.00 0.00 0.00 179.25 180.69 2gqj h GLY 69 N 1.18 0.31 0.59 0.00 0.00 -1.95 -2.57 103.07 100.62 2gqj h GLY 69 Ca 0.35 -0.15 0.15 0.00 0.00 0.00 0.00 47.33 47.68 2gqj h GLY 69 CO -0.09 0.14 0.54 -2.00 0.00 0.00 0.00 176.54 175.12 2gqj h LEU 70 N 0.21 0.47 0.74 3.11 5.85 -1.19 0.33 115.31 124.82 2gqj h LEU 70 Ca 0.07 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2gqj h LEU 70 Cb 0.10 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.08 2gqj h LEU 70 CO -0.01 0.23 -0.35 0.78 -0.34 0.00 0.00 178.44 178.75 2gqj h ASN 71 N 0.49 -0.84 0.01 1.25 2.35 -1.30 0.31 115.58 117.86 2gqj h ASN 71 Ca 0.40 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.17 2gqj h ASN 71 Cb 0.86 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 2gqj h ASN 71 CO -0.15 -0.50 -0.04 0.22 -1.65 0.00 0.00 177.43 175.30 2gqj h TYR 72 N -1.19 0.09 0.41 1.19 5.03 -1.21 -2.21 116.97 119.07 2gqj h TYR 72 Ca -0.10 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.19 2gqj h TYR 72 Cb 0.76 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.01 2gqj h TYR 72 CO 0.01 0.15 -0.20 1.25 -1.32 0.00 0.00 178.16 178.05 2gqj h HIS 73 N 0.10 -0.51 -1.04 -3.82 2.76 -0.28 0.13 115.15 112.49 2gqj h HIS 73 Ca 0.02 -0.01 0.27 0.00 -2.20 0.00 0.00 60.37 58.45 2gqj h HIS 73 Cb 0.14 0.17 -0.08 0.00 1.55 0.00 0.00 27.41 29.19 2gqj h HIS 73 CO 0.00 -0.31 0.69 1.15 -1.30 0.00 0.00 177.93 178.15 2gqj h THR 74 N -1.13 0.53 0.19 6.26 2.02 -0.30 1.03 112.91 121.50 2gqj h THR 74 Ca -0.06 -0.11 -0.25 0.00 0.77 0.00 0.00 66.41 66.77 2gqj h THR 74 Cb 0.42 0.18 0.03 0.00 -1.74 0.00 0.00 68.15 67.03 2gqj h THR 74 CO 0.09 0.06 -1.10 0.00 0.37 0.00 0.00 175.52 174.94 2gqj h MET 75 N 0.32 0.39 0.31 6.66 -0.00 -1.44 -2.42 114.93 118.76 2gqj h MET 75 Ca 0.57 -0.67 -0.02 0.00 -0.00 0.00 0.00 59.70 59.58 2gqj h MET 75 Cb 1.59 0.25 0.00 0.00 -0.00 0.00 0.00 31.60 33.44 2gqj h MET 75 CO -0.23 1.32 -0.15 0.00 -0.00 0.00 0.00 176.91 177.85 2gqj h ALA 76 N 0.10 -0.54 0.98 -3.00 0.00 0.12 -3.23 119.26 113.70 2gqj h ALA 76 Ca -0.19 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2gqj h ALA 76 Cb 1.85 0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.82 2gqj h ALA 76 CO 0.20 -0.51 -0.47 0.93 0.00 0.00 0.00 179.25 179.40 2gqj h GLU 77 N -0.84 -1.27 -4.18 0.00 4.39 0.81 -3.34 114.58 110.15 2gqj h GLU 77 Ca -0.04 0.09 -0.76 0.00 0.34 0.00 0.00 59.36 58.98 2gqj h GLU 77 Cb 0.32 0.29 -0.23 0.00 -0.10 0.00 0.00 28.75 29.03 2gqj h GLU 77 CO 0.07 -0.85 0.72 -1.01 -1.16 0.00 0.00 179.01 176.78 2gqj s HIS 78 N -5.83 3.79 -0.04 4.33 3.76 -0.91 -5.02 115.29 115.37 2gqj s HIS 78 Ca -0.19 -2.22 -0.08 0.00 -0.15 0.00 0.00 55.06 52.42 2gqj s HIS 78 Cb 0.02 -4.04 -0.05 0.00 1.11 0.00 0.00 32.58 29.62 2gqj s HIS 78 CO 0.58 -1.17 0.25 0.45 -0.85 0.00 0.00 174.74 174.00 2gqj s SER 79 N 2.25 6.52 -0.59 1.40 0.15 -1.22 -4.16 113.70 118.05 2gqj s SER 79 Ca 0.32 0.60 0.04 0.00 0.70 0.00 0.00 55.95 57.62 2gqj s SER 79 Cb -0.07 -2.11 0.36 0.00 -1.71 0.00 0.00 66.02 62.49 2gqj s SER 79 CO -0.06 0.32 1.10 0.00 1.20 0.00 0.00 173.24 175.80 2gqj n ALA 80 N 1.54 4.96 -3.12 5.45 0.00 -1.26 -5.02 120.51 123.07 2gqj n ALA 80 Ca -0.15 -4.59 -0.10 0.00 0.00 0.00 0.00 53.44 48.60 2gqj n ALA 80 Cb 0.53 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 2gqj n ALA 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2gqj s LYS 81 N -3.59 1.19 0.00 0.00 1.02 -1.26 -5.02 119.74 112.08 2gqj s LYS 81 Ca 0.48 -0.76 0.11 0.00 0.02 0.00 0.00 55.97 55.81 2gqj s LYS 81 Cb 0.31 0.49 0.64 0.00 -0.52 0.00 0.00 37.83 38.74 2gqj s LYS 81 CO -0.16 -0.48 1.07 -0.35 -0.92 0.00 0.00 175.35 174.51 2gqj n PRO 82 N -0.27 0.49 -1.68 -1.68 -0.04 -1.26 -3.25 135.00 127.29 2gqj n PRO 82 Ca -0.14 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.99 2gqj n PRO 82 Cb 0.63 -1.34 0.05 0.00 -0.04 0.00 0.00 33.50 32.80 2gqj n PRO 82 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2gqj n SER 83 N -0.84 6.96 -3.64 3.54 3.41 -1.26 -4.80 113.62 116.99 2gqj n SER 83 Ca 0.08 -3.79 -0.04 0.00 -0.26 0.00 0.00 58.87 54.86 2gqj n SER 83 Cb 0.04 -0.85 -0.05 0.00 -0.26 0.00 0.00 64.21 63.08 2gqj n SER 83 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gqj s ASP 84 N -2.08 -1.04 -0.72 4.04 -1.08 -1.20 -4.95 116.67 109.64 2gqj s ASP 84 Ca 0.58 1.52 -0.04 0.00 -0.52 0.00 0.00 52.55 54.10 2gqj s ASP 84 Cb 0.47 1.86 0.00 0.00 -1.46 0.00 0.00 42.92 43.79 2gqj s ASP 84 CO -0.12 -0.23 0.62 0.00 0.52 0.00 0.00 175.17 175.97 2gqj n ALA 85 N 4.90 -0.81 -1.74 3.66 0.00 -1.26 -4.96 120.51 120.30 2gqj n ALA 85 Ca -0.16 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2gqj n ALA 85 Cb 0.54 -2.83 0.06 0.00 0.00 0.00 0.00 19.45 17.21 2gqj n ALA 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2gqj s GLU 86 N -5.48 2.73 1.05 0.00 -1.05 -1.26 -4.96 118.70 109.73 2gqj s GLU 86 Ca 0.24 2.14 -0.13 0.00 -0.15 0.00 0.00 54.97 57.08 2gqj s GLU 86 Cb -0.11 -1.98 0.17 0.00 -0.44 0.00 0.00 34.13 31.77 2gqj s GLU 86 CO 0.40 -1.49 0.73 0.00 0.95 0.00 0.00 175.26 175.85 2gqj n ALA 87 N -1.62 -2.55 -2.01 -0.84 0.00 -1.26 -4.99 120.51 107.24 2gqj n ALA 87 Ca 0.14 -0.93 -0.30 0.00 0.00 0.00 0.00 53.44 52.36 2gqj n ALA 87 Cb 0.47 -1.92 0.01 0.00 0.00 0.00 0.00 19.45 18.01 2gqj n ALA 87 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gqj s SER 88 N -2.27 6.23 -0.45 0.00 1.04 -1.26 -4.91 113.70 112.08 2gqj s SER 88 Ca 0.63 1.25 -0.42 0.00 0.48 0.00 0.00 55.95 57.89 2gqj s SER 88 Cb -0.21 -2.38 -0.17 0.00 0.10 0.00 0.00 66.02 63.35 2gqj s SER 88 CO 0.64 -0.78 2.07 1.21 0.98 0.00 0.00 173.24 177.37 2gqj n GLU 89 N -2.59 0.34 -2.56 4.02 0.00 -1.26 -4.91 120.64 113.68 2gqj n GLU 89 Ca 0.04 0.10 -0.12 0.00 0.00 0.00 0.00 57.16 57.18 2gqj n GLU 89 Cb 0.54 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 30.21 2gqj n GLU 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gqj n GLY 90 N 6.71 2.90 3.68 8.31 0.00 -1.26 -5.06 105.19 120.48 2gqj n GLY 90 Ca 0.47 -2.23 -0.45 0.00 0.00 0.00 0.00 46.02 43.82 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 1.95 1.45 3.29 -0.02 0.00 -1.26 -4.97 105.19 105.64 2gqj n GLY 91 Ca -0.01 0.72 -0.15 0.00 0.00 0.00 0.00 46.02 46.57 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 2.28 1.55 -0.01 1.61 2.02 -1.26 -5.15 118.70 119.75 2gqj s GLU 92 Ca 0.82 -1.80 -0.19 0.00 0.02 0.00 0.00 54.97 53.83 2gqj s GLU 92 Cb -0.58 0.33 -0.06 0.00 0.10 0.00 0.00 34.13 33.92 2gqj s GLU 92 CO 0.40 -0.57 0.53 -1.54 0.02 0.00 0.00 175.26 174.10 2gqj s SER 93 N -3.26 6.91 -0.40 -0.19 1.04 -1.26 -5.04 113.70 111.50 2gqj s SER 93 Ca 0.38 1.08 0.04 0.00 0.48 0.00 0.00 55.95 57.93 2gqj s SER 93 Cb 0.04 -2.32 0.16 0.00 0.10 0.00 0.00 66.02 64.00 2gqj s SER 93 CO 0.20 0.17 0.44 -0.83 0.98 0.00 0.00 173.24 174.21 2gqj s GLY 94 N -0.45 -0.13 0.92 7.32 0.00 -1.26 -5.15 107.32 108.57 2gqj s GLY 94 Ca 0.28 -1.01 -0.16 0.00 0.00 0.00 0.00 44.72 43.83 2gqj s GLY 94 CO 0.15 2.86 0.82 -1.55 0.00 0.00 0.00 173.10 175.39 2gqj n PRO 95 N 3.88 -2.63 -3.74 2.90 -0.04 -1.26 -5.09 135.00 129.02 2gqj n PRO 95 Ca 0.15 -1.31 -0.12 0.00 -0.04 0.00 0.00 63.50 62.17 2gqj n PRO 95 Cb 0.48 -1.23 -0.12 0.00 -0.04 0.00 0.00 33.50 32.59 2gqj n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gqj s SER 96 N -3.71 -0.34 0.29 3.54 0.15 -1.26 -5.17 113.70 107.20 2gqj s SER 96 Ca 0.53 0.64 0.04 0.00 0.70 0.00 0.00 55.95 57.86 2gqj s SER 96 Cb -0.05 0.58 -0.06 0.00 -1.71 0.00 0.00 66.02 64.78 2gqj s SER 96 CO 0.41 -0.14 0.03 -0.94 1.20 0.00 0.00 173.24 173.80 2gqj s SER 97 N 0.75 2.20 0.00 5.45 1.04 -1.26 -5.38 113.70 116.49 2gqj s SER 97 Ca -0.05 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.07 2gqj s SER 97 Cb -0.06 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2gqj s SER 97 CO -0.05 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.22