#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 6.87 0.09 1.61 1.04 -1.26 -5.01 113.70 117.05 2gqj s SER 2 Ca 0.00 2.33 -0.17 0.00 0.48 0.00 0.00 55.95 58.59 2gqj s SER 2 Cb 0.00 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 2gqj s SER 2 CO 0.00 -0.59 0.55 -0.94 0.98 0.00 0.00 173.24 173.24 2gqj s SER 3 N 0.79 6.95 -0.28 7.02 1.04 -1.26 -5.06 113.70 122.90 2gqj s SER 3 Ca 0.61 1.17 -0.30 0.00 0.48 0.00 0.00 55.95 57.91 2gqj s SER 3 Cb -0.36 -2.32 0.19 0.00 0.10 0.00 0.00 66.02 63.62 2gqj s SER 3 CO 0.33 0.22 1.36 -0.83 0.98 0.00 0.00 173.24 175.30 2gqj s GLY 4 N -1.33 0.07 0.24 7.32 0.00 -1.26 -5.19 107.32 107.17 2gqj s GLY 4 Ca 0.32 2.77 -0.15 0.00 0.00 0.00 0.00 44.72 47.66 2gqj s GLY 4 CO 0.18 1.08 0.52 -1.35 0.00 0.00 0.00 173.10 173.53 2gqj s SER 5 N -1.09 -0.14 0.20 1.64 1.04 -1.26 -5.18 113.70 108.92 2gqj s SER 5 Ca 0.09 -0.81 0.07 0.00 0.48 0.00 0.00 55.95 55.78 2gqj s SER 5 Cb -0.01 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 2gqj s SER 5 CO -0.08 -1.16 0.06 -0.44 0.98 0.00 0.00 173.24 172.60 2gqj s SER 6 N -2.98 5.00 0.00 7.02 0.01 -1.26 -5.14 113.70 116.35 2gqj s SER 6 Ca 0.18 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2gqj s SER 6 Cb -0.02 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 65.08 2gqj s SER 6 CO 0.07 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2gqj n GLY 7 N -0.51 2.84 3.69 3.44 0.00 -1.26 -5.12 105.19 108.28 2gqj n GLY 7 Ca -0.08 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 2gqj n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqj s PRO 8 N -0.37 0.67 0.00 1.61 0.04 -1.26 -4.98 135.00 130.72 2gqj s PRO 8 Ca 0.00 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2gqj s PRO 8 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2gqj s PRO 8 CO 0.00 -2.59 0.00 0.41 0.04 0.00 0.00 177.00 174.86 2gqj n GLY 9 N -1.09 -0.61 3.85 0.56 0.00 -1.26 -5.17 105.19 101.47 2gqj n GLY 9 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 1.68 0.00 -0.02 0.00 -1.26 -5.01 107.32 102.71 2gqj s GLY 10 Ca 0.00 -0.93 -0.24 0.00 0.00 0.00 0.00 44.72 43.55 2gqj s GLY 10 CO 0.00 -0.24 1.30 -0.56 0.00 0.00 0.00 173.10 173.60 2gqj h PRO 11 N -1.62 0.13 -2.38 2.90 0.13 -2.06 -3.39 132.00 125.71 2gqj h PRO 11 Ca -0.46 -0.07 -0.59 0.00 -0.87 0.00 0.00 66.00 64.01 2gqj h PRO 11 Cb 1.28 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.02 2gqj h PRO 11 CO 0.48 0.58 -0.89 0.39 -0.23 0.00 0.00 178.00 178.33 2gqj n GLU 12 N -4.75 0.94 -0.07 0.86 1.02 -1.26 -4.92 120.64 112.46 2gqj n GLU 12 Ca -0.08 -3.63 -0.21 0.00 -0.02 0.00 0.00 57.16 53.22 2gqj n GLU 12 Cb 0.29 -1.74 -0.12 0.00 -0.02 0.00 0.00 31.44 29.85 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 2.03 0.68 -0.12 3.49 1.02 -1.26 -3.97 120.64 122.50 2gqj n GLU 13 Ca 0.26 0.27 -0.20 0.00 -0.02 0.00 0.00 57.16 57.47 2gqj n GLU 13 Cb 0.46 -1.63 -0.12 0.00 -0.02 0.00 0.00 31.44 30.14 2gqj n GLU 13 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2gqj n GLN 14 N -3.64 0.65 -0.14 3.49 7.27 -1.26 -3.87 117.38 119.88 2gqj n GLN 14 Ca -0.39 0.18 -0.00 0.00 0.07 0.00 0.00 57.00 56.85 2gqj n GLN 14 Cb 0.96 -1.53 0.25 0.00 2.41 0.00 0.00 30.24 32.34 2gqj n GLN 14 CO 0.00 0.00 0.00 -1.49 0.07 0.00 0.00 177.06 175.64 2gqj h TRP 15 N -0.16 0.82 -0.25 3.69 6.55 -1.91 -2.49 115.95 122.19 2gqj h TRP 15 Ca -0.59 -0.02 -0.18 0.00 0.95 0.00 0.00 58.89 59.05 2gqj h TRP 15 Cb 1.86 -0.26 -0.00 0.00 -0.86 0.00 0.00 29.16 29.89 2gqj h TRP 15 CO 0.01 0.60 -0.55 0.37 -1.05 0.00 0.00 178.44 177.82 2gqj h GLN 16 N 0.83 0.77 -0.48 0.49 5.75 -1.77 0.10 115.11 120.80 2gqj h GLN 16 Ca 0.21 -0.49 0.10 0.00 -0.15 0.00 0.00 58.65 58.31 2gqj h GLN 16 Cb 0.08 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 2gqj h GLN 16 CO -0.03 1.12 0.33 0.00 -2.65 0.00 0.00 178.83 177.60 2gqj h ARG 17 N 0.59 0.22 0.03 1.69 3.08 -1.56 -0.67 114.38 117.76 2gqj h ARG 17 Ca 0.01 -0.01 -0.34 0.00 0.07 0.00 0.00 59.98 59.70 2gqj h ARG 17 Cb 1.14 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.09 2gqj h ARG 17 CO 0.12 0.15 -2.08 0.00 -1.07 0.00 0.00 179.97 177.09 2gqj n ALA 18 N -2.56 1.35 0.15 0.04 0.00 -1.12 -2.86 120.51 115.51 2gqj n ALA 18 Ca 0.07 -0.93 0.05 0.00 0.00 0.00 0.00 53.44 52.63 2gqj n ALA 18 Cb 0.39 -0.52 0.49 0.00 0.00 0.00 0.00 19.45 19.81 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 0.02 1.10 0.00 0.00 2.04 -0.19 0.10 117.51 120.58 2gqj h ILE 19 Ca -0.43 -0.40 -0.23 0.00 1.00 0.00 0.00 64.86 64.80 2gqj h ILE 19 Cb 2.06 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 2gqj h ILE 19 CO 0.04 0.13 -1.82 0.00 0.00 0.00 0.00 178.15 176.50 2gqj n HIS 20 N -4.40 0.59 0.08 1.37 1.44 -0.31 -3.25 115.22 110.73 2gqj n HIS 20 Ca -0.01 0.20 -0.11 0.00 -2.01 0.00 0.00 57.72 55.79 2gqj n HIS 20 Cb 0.17 -1.02 -0.08 0.00 0.12 0.00 0.00 29.99 29.18 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 -0.27 0.00 -1.40 4.39 -1.32 -3.43 114.58 112.56 2gqj h GLU 21 Ca -0.28 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2gqj h GLU 21 Cb 1.80 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 2gqj h GLU 21 CO 0.04 0.12 0.00 0.54 -1.16 0.00 0.00 179.01 178.56 2gqj n ARG 22 N -4.98 0.00 0.00 2.33 5.12 -0.01 -5.07 116.66 114.04 2gqj n ARG 22 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 2gqj n ARG 22 Cb 0.26 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 31.18 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 1.76 -0.20 3.64 -0.13 0.00 -1.18 -5.03 105.19 104.05 2gqj n GLY 23 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.71 1.60 -0.52 1.61 1.03 -1.25 -4.63 118.70 114.83 2gqj s GLU 24 Ca 0.00 -1.20 0.04 0.00 0.03 0.00 0.00 54.97 53.83 2gqj s GLU 24 Cb 0.00 0.50 0.15 0.00 -0.80 0.00 0.00 34.13 33.98 2gqj s GLU 24 CO 0.00 -0.68 0.34 0.00 -1.33 0.00 0.00 175.26 173.59 2gqj s ALA 25 N -3.99 2.57 1.26 -0.84 0.00 -1.26 -4.44 121.76 115.06 2gqj s ALA 25 Ca 0.20 -2.99 -0.18 0.00 0.00 0.00 0.00 51.96 48.99 2gqj s ALA 25 Cb -0.02 -1.93 0.28 0.00 0.00 0.00 0.00 23.12 21.45 2gqj s ALA 25 CO 0.09 -2.05 0.62 1.33 0.00 0.00 0.00 175.76 175.75 2gqj n VAL 26 N 2.87 0.00 -1.89 0.00 0.24 -1.26 -4.72 118.33 113.57 2gqj n VAL 26 Ca 0.17 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.05 2gqj n VAL 26 Cb 0.37 -0.71 -0.03 0.00 -1.47 0.00 0.00 33.84 32.01 2gqj n VAL 26 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gqj n PRO 28 N 5.01 0.49 -0.04 0.00 -0.04 -1.26 0.97 135.00 140.13 2gqj n PRO 28 Ca 0.15 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.55 2gqj n PRO 28 Cb 0.39 -1.41 -0.02 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 -0.91 1.39 0.07 0.52 -1.04 -1.26 -4.84 114.28 108.20 2gqj n THR 29 Ca 0.10 0.23 0.01 0.00 -2.04 0.00 0.00 64.05 62.34 2gqj n THR 29 Cb 0.04 -2.05 -0.00 0.00 -1.82 0.00 0.00 70.33 66.50 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 -0.49 -5.37 -3.82 0.00 4.13 0.27 -4.89 115.26 105.09 2gqj n ASN 31 Ca 0.01 -0.66 -0.30 0.00 1.68 0.00 0.00 54.58 55.31 2gqj n ASN 31 Cb 0.03 -4.27 -0.14 0.00 -1.54 0.00 0.00 39.78 33.86 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 -3.28 1.57 0.18 2.41 -7.23 -1.26 -4.47 120.40 108.32 2gqj s VAL 32 Ca 0.61 -2.18 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 2gqj s VAL 32 Cb -0.30 -2.14 0.05 0.00 0.56 0.00 0.00 36.38 34.55 2gqj s VAL 32 CO 0.76 -0.73 0.63 1.33 -0.31 0.00 0.00 175.10 176.77 2gqj n VAL 33 N 4.13 0.00 -1.50 1.32 0.24 -1.26 -4.76 118.33 116.50 2gqj n VAL 33 Ca 0.03 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.43 2gqj n VAL 33 Cb 0.39 0.58 0.02 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.43 2.22 -0.17 3.34 -1.04 -1.26 -4.84 114.28 112.09 2gqj n THR 34 Ca -0.03 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 61.46 2gqj n THR 34 Cb 0.40 -0.76 0.06 0.00 -1.82 0.00 0.00 70.33 68.20 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 0.74 0.07 -0.41 -2.82 9.65 -2.01 -0.67 114.38 118.94 2gqj h ARG 35 Ca -0.44 -0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.33 2gqj h ARG 35 Cb 1.38 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.93 2gqj h ARG 35 CO 0.51 0.05 -0.20 0.87 2.80 0.00 0.00 179.97 184.00 2gqj h LYS 36 N 0.07 0.79 -4.17 0.20 6.56 -1.94 -3.41 116.57 114.67 2gqj h LYS 36 Ca 0.27 -0.31 -0.33 0.00 -1.06 0.00 0.00 60.65 59.21 2gqj h LYS 36 Cb 0.41 -0.04 0.07 0.00 -0.57 0.00 0.00 32.23 32.10 2gqj h LYS 36 CO -0.48 0.93 -0.52 0.25 -2.06 0.00 0.00 179.45 177.57 2gqj n THR 37 N -4.12 -1.94 -0.07 -0.16 -2.24 -0.26 -4.21 114.28 101.28 2gqj n THR 37 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 2gqj n THR 37 Cb 0.42 -3.22 -0.03 0.00 -2.10 0.00 0.00 70.33 65.40 2gqj n THR 37 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2gqj n LEU 38 N -3.65 1.76 -0.02 3.22 7.99 -1.26 -4.16 117.00 120.88 2gqj n LEU 38 Ca -0.06 0.29 -0.09 0.00 -0.01 0.00 0.00 56.01 56.14 2gqj n LEU 38 Cb 0.58 -0.66 -0.14 0.00 -0.11 0.00 0.00 43.42 43.09 2gqj n LEU 38 CO 0.44 -0.27 -0.56 1.33 -1.51 0.00 0.00 177.39 176.81 2gqj n VAL 39 N -4.25 1.61 0.09 4.08 0.24 -1.26 -4.04 118.33 114.80 2gqj n VAL 39 Ca -0.15 -0.79 -0.02 0.00 -2.04 0.00 0.00 64.34 61.34 2gqj n VAL 39 Cb 0.46 -1.05 -0.05 0.00 -1.47 0.00 0.00 33.84 31.74 2gqj n VAL 39 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2gqj h GLY 40 N 3.42 0.00 1.60 7.63 0.00 -1.94 -2.67 103.07 111.11 2gqj h GLY 40 Ca -0.30 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 2gqj h GLY 40 CO 0.08 0.00 -0.19 -2.00 0.00 0.00 0.00 176.54 174.43 2gqj h LEU 41 N 0.00 0.46 0.09 3.11 5.85 -1.72 0.36 115.31 123.46 2gqj h LEU 41 Ca -0.04 -0.14 -0.30 0.00 0.84 0.00 0.00 57.88 58.24 2gqj h LEU 41 Cb 1.58 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 2gqj h LEU 41 CO 0.09 0.67 -1.58 0.11 -0.34 0.00 0.00 178.44 177.39 2gqj h LYS 42 N 0.43 0.18 0.00 1.25 1.57 -1.70 -2.80 116.57 115.51 2gqj h LYS 42 Ca 0.07 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 2gqj h LYS 42 Cb 0.57 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2gqj h LYS 42 CO 0.04 1.00 -0.37 0.87 -0.57 0.00 0.00 179.45 180.42 2gqj h LYS 43 N 0.05 0.00 0.00 3.15 1.79 -1.36 -3.29 116.57 116.91 2gqj h LYS 43 Ca -0.25 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2gqj h LYS 43 Cb 2.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.65 2gqj h LYS 43 CO 0.14 0.37 -0.17 1.25 -1.08 0.00 0.00 179.45 179.96 2gqj h HIS 44 N 0.00 0.00 -1.17 -1.35 2.76 -0.39 -3.33 115.15 111.67 2gqj h HIS 44 Ca -0.00 0.00 0.34 0.00 -2.20 0.00 0.00 60.37 58.50 2gqj h HIS 44 Cb 1.14 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.05 2gqj h HIS 44 CO 0.00 0.05 1.23 0.00 -1.30 0.00 0.00 177.93 177.91 2gqj h MET 45 N -1.00 0.00 -0.32 5.26 -0.00 -1.63 0.10 114.93 117.35 2gqj h MET 45 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 59.70 59.75 2gqj h MET 45 Cb 0.20 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 31.72 2gqj h MET 45 CO -0.00 0.00 -0.48 0.93 -0.00 0.00 0.00 176.91 177.35 2gqj h GLU 46 N 0.00 -0.40 0.21 -0.10 4.39 -1.67 -2.82 114.58 114.18 2gqj h GLU 46 Ca 0.55 0.03 -0.35 0.00 0.34 0.00 0.00 59.36 59.93 2gqj h GLU 46 Cb 3.00 0.09 0.02 0.00 -0.10 0.00 0.00 28.75 31.76 2gqj h GLU 46 CO -0.01 -0.27 -1.70 -0.39 -1.16 0.00 0.00 179.01 175.49 2gqj h VAL 47 N -0.42 1.01 -0.58 3.13 -1.51 -1.22 -3.38 116.25 113.28 2gqj h VAL 47 Ca 0.09 -2.55 0.05 0.00 -1.23 0.00 0.00 66.70 63.06 2gqj h VAL 47 Cb 0.61 2.83 -0.07 0.00 -2.13 0.00 0.00 31.29 32.54 2gqj h VAL 47 CO -0.53 0.85 -0.34 0.00 -1.23 0.00 0.00 177.57 176.31 2gqj h GLN 49 N 0.00 0.01 -0.34 0.00 5.75 -1.68 0.45 115.11 119.30 2gqj h GLN 49 Ca 0.09 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 2gqj h GLN 49 Cb 0.24 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 2gqj h GLN 49 CO -0.55 0.01 0.11 0.87 -2.65 0.00 0.00 178.83 176.62 2gqj h LYS 50 N 0.01 0.53 0.21 1.69 6.56 0.12 -3.17 116.57 122.52 2gqj h LYS 50 Ca 0.48 -0.11 0.01 0.00 -1.06 0.00 0.00 60.65 59.96 2gqj h LYS 50 Cb 0.80 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.36 2gqj h LYS 50 CO -0.93 0.56 -0.26 -0.07 -2.06 0.00 0.00 179.45 176.68 2gqj h LEU 51 N 0.40 -0.70 -0.78 2.94 4.07 0.12 -2.02 115.31 119.34 2gqj h LEU 51 Ca 0.11 0.07 0.24 0.00 0.08 0.00 0.00 57.88 58.38 2gqj h LEU 51 Cb 0.25 0.25 -0.14 0.00 1.08 0.00 0.00 40.66 42.09 2gqj h LEU 51 CO -0.00 -0.36 0.09 0.00 -1.08 0.00 0.00 178.44 177.08 2gqj n GLN 52 N -5.38 -0.06 -0.03 1.13 6.02 0.45 0.11 117.38 119.62 2gqj n GLN 52 Ca -0.08 1.14 -0.14 0.00 -0.01 0.00 0.00 57.00 57.91 2gqj n GLN 52 Cb 0.29 -1.86 -0.10 0.00 1.02 0.00 0.00 30.24 29.59 2gqj n GLN 52 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2gqj h ASP 53 N 0.00 0.24 -0.14 1.08 3.58 -1.49 -2.82 116.42 116.87 2gqj h ASP 53 Ca 0.51 -0.65 0.05 0.00 0.42 0.00 0.00 57.03 57.35 2gqj h ASP 53 Cb 1.12 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 42.04 2gqj h ASP 53 CO -0.70 0.85 -0.22 0.00 -2.88 0.00 0.00 179.24 176.28 2gqj h ALA 54 N 0.40 -0.18 -0.99 -0.78 0.00 0.15 -1.67 119.26 116.17 2gqj h ALA 54 Ca -0.01 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2gqj h ALA 54 Cb 0.84 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 2gqj h ALA 54 CO 0.04 -0.68 0.64 -0.07 0.00 0.00 0.00 179.25 179.18 2gqj h LEU 55 N -0.28 1.03 -9.53 0.00 -0.00 -0.69 -3.41 115.31 102.43 2gqj h LEU 55 Ca 0.10 0.01 -0.53 0.00 -0.00 0.00 0.00 57.88 57.47 2gqj h LEU 55 Cb 0.43 -0.21 0.04 0.00 -0.00 0.00 0.00 40.66 40.93 2gqj h LEU 55 CO -0.30 0.65 1.08 -0.75 -0.00 0.00 0.00 178.44 179.12 2gqj s LYS 56 N -6.04 4.15 1.29 1.13 2.20 -0.63 -4.28 119.74 117.56 2gqj s LYS 56 Ca -0.12 2.55 -0.20 0.00 -0.36 0.00 0.00 55.97 57.84 2gqj s LYS 56 Cb 0.20 -3.51 0.32 0.00 -1.51 0.00 0.00 37.83 33.33 2gqj s LYS 56 CO 0.81 -0.81 1.02 0.00 -0.36 0.00 0.00 175.35 176.02 2gqj n GLN 58 N -5.15 1.59 0.04 0.00 0.00 -1.26 -3.97 117.38 108.63 2gqj n GLN 58 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 57.00 56.90 2gqj n GLN 58 Cb 0.59 -0.93 -0.14 0.00 0.00 0.00 0.00 30.24 29.76 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 0.00 0.58 0.00 2.61 3.86 -2.00 -3.39 115.15 116.81 2gqj h HIS 59 Ca 0.00 -0.42 -0.15 0.00 -1.16 0.00 0.00 60.37 58.64 2gqj h HIS 59 Cb 0.24 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 2gqj h HIS 59 CO 0.00 1.68 -1.96 0.00 0.86 0.00 0.00 177.93 178.51 2gqj n ARG 61 N -2.36 -5.59 -5.06 0.00 3.00 -1.25 -5.03 116.66 100.37 2gqj n ARG 61 Ca -0.15 0.69 -0.30 0.00 -0.01 0.00 0.00 57.85 58.07 2gqj n ARG 61 Cb 0.75 -5.24 -0.15 0.00 0.00 0.00 0.00 32.46 27.81 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 -5.28 1.93 0.20 5.56 1.02 -1.26 -4.88 119.74 117.03 2gqj s LYS 62 Ca 0.09 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 2gqj s LYS 62 Cb -0.04 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 35.18 2gqj s LYS 62 CO 0.59 0.53 1.06 -1.14 -0.92 0.00 0.00 175.35 175.48 2gqj s GLN 63 N -1.00 4.65 -0.23 1.68 2.00 -1.26 -2.47 119.66 123.04 2gqj s GLN 63 Ca 0.11 1.68 0.01 0.00 -2.00 0.00 0.00 55.36 55.16 2gqj s GLN 63 Cb -0.10 -3.27 0.06 0.00 0.80 0.00 0.00 33.01 30.50 2gqj s GLN 63 CO 0.01 0.18 -0.07 -0.06 -0.50 0.00 0.00 175.29 174.86 2gqj s PHE 64 N -0.56 2.45 -0.12 1.67 0.40 -1.26 -5.00 117.98 115.57 2gqj s PHE 64 Ca 0.47 -1.75 -0.03 0.00 -0.60 0.00 0.00 56.93 55.01 2gqj s PHE 64 Cb -0.29 -1.61 -0.08 0.00 0.51 0.00 0.00 43.02 41.56 2gqj s PHE 64 CO 0.35 -0.77 2.81 1.63 0.70 0.00 0.00 175.22 179.94 2gqj n LYS 65 N 4.66 1.75 -3.15 0.44 4.01 -1.26 -4.60 118.16 120.01 2gqj n LYS 65 Ca -0.13 -1.01 0.05 0.00 -0.51 0.00 0.00 58.31 56.72 2gqj n LYS 65 Cb 0.44 -1.69 -0.01 0.00 -0.51 0.00 0.00 35.03 33.27 2gqj n LYS 65 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2gqj s SER 66 N 1.50 -0.61 0.17 4.39 0.01 -1.26 -5.02 113.70 112.88 2gqj s SER 66 Ca 0.42 0.28 -0.16 0.00 1.31 0.00 0.00 55.95 57.79 2gqj s SER 66 Cb 0.23 1.47 0.11 0.00 0.21 0.00 0.00 66.02 68.03 2gqj s SER 66 CO -0.04 -0.11 1.68 0.50 0.41 0.00 0.00 173.24 175.68 2gqj h LYS 67 N 7.83 0.04 -0.56 12.44 3.11 -1.99 -0.37 116.57 137.07 2gqj h LYS 67 Ca -0.13 -0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.63 2gqj h LYS 67 Cb 1.17 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.38 2gqj h LYS 67 CO -0.05 0.02 0.02 0.00 -2.81 0.00 0.00 179.45 176.64 2gqj h ALA 68 N 1.39 0.75 -0.54 5.00 0.00 -1.98 -3.02 119.26 120.86 2gqj h ALA 68 Ca 0.20 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2gqj h ALA 68 Cb 0.30 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2gqj h ALA 68 CO -0.39 0.56 0.29 0.78 0.00 0.00 0.00 179.25 180.50 2gqj h GLY 69 N 0.86 0.77 0.77 0.00 0.00 -1.72 -2.59 103.07 101.16 2gqj h GLY 69 Ca 0.16 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.32 2gqj h GLY 69 CO 0.02 0.14 0.21 -2.00 0.00 0.00 0.00 176.54 174.92 2gqj h LEU 70 N 0.57 0.30 -0.77 3.11 5.85 -1.02 -2.78 115.31 120.57 2gqj h LEU 70 Ca 0.24 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2gqj h LEU 70 Cb 0.12 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.01 2gqj h LEU 70 CO -0.15 0.22 -0.58 0.78 -0.34 0.00 0.00 178.44 178.37 2gqj h ASN 71 N 0.42 -2.05 0.11 1.25 2.35 -1.33 0.17 115.58 116.50 2gqj h ASN 71 Ca 0.19 0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 56.23 2gqj h ASN 71 Cb 0.10 0.88 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 2gqj h ASN 71 CO -0.13 -0.30 -0.11 0.22 -1.65 0.00 0.00 177.43 175.45 2gqj h TYR 72 N -0.16 -0.32 -0.90 1.19 3.20 -1.51 -3.05 116.97 115.44 2gqj h TYR 72 Ca 0.13 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.09 2gqj h TYR 72 Cb 0.48 0.12 -0.12 0.00 1.54 0.00 0.00 36.73 38.76 2gqj h TYR 72 CO -0.91 -0.15 -0.49 1.58 -1.64 0.00 0.00 178.16 176.55 2gqj n HIS 73 N -2.99 -0.30 -0.29 -3.82 -0.00 -1.00 0.61 115.22 107.42 2gqj n HIS 73 Ca -0.03 1.12 0.15 0.00 0.46 0.00 0.00 57.72 59.42 2gqj n HIS 73 Cb 0.10 -0.63 0.30 0.00 -0.12 0.00 0.00 29.99 29.64 2gqj n HIS 73 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 2gqj n THR 74 N -5.16 -0.36 -0.06 3.57 -1.04 0.57 0.42 114.28 112.23 2gqj n THR 74 Ca 0.03 1.83 -0.05 0.00 -2.04 0.00 0.00 64.05 63.83 2gqj n THR 74 Cb 0.26 -2.73 -0.04 0.00 -1.82 0.00 0.00 70.33 66.00 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 0.00 -0.47 -2.82 1.85 0.26 -0.72 114.93 113.03 2gqj h MET 75 Ca 0.55 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.70 2gqj h MET 75 Cb 1.22 0.00 -0.09 0.00 0.43 0.00 0.00 31.60 33.16 2gqj h MET 75 CO -0.77 0.31 -0.55 0.00 -0.40 0.00 0.00 176.91 175.50 2gqj h ALA 76 N -0.70 -0.74 0.18 0.39 0.00 0.82 0.36 119.26 119.57 2gqj h ALA 76 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gqj h ALA 76 Cb 0.35 1.14 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2gqj h ALA 76 CO -0.01 -1.03 -0.09 0.93 0.00 0.00 0.00 179.25 179.05 2gqj h GLU 77 N -0.36 -0.23 -3.07 0.00 4.39 -0.22 -3.37 114.58 111.71 2gqj h GLU 77 Ca 0.09 0.02 -0.75 0.00 0.34 0.00 0.00 59.36 59.05 2gqj h GLU 77 Cb 0.58 0.05 -0.32 0.00 -0.10 0.00 0.00 28.75 28.96 2gqj h GLU 77 CO -0.63 0.17 0.27 0.72 -1.16 0.00 0.00 179.01 178.37 2gqj n HIS 78 N -4.94 3.72 -1.12 4.33 8.25 -0.28 -5.03 115.22 120.15 2gqj n HIS 78 Ca -0.07 -3.55 -0.50 0.00 -0.26 0.00 0.00 57.72 53.33 2gqj n HIS 78 Cb 0.26 -1.23 -0.09 0.00 1.12 0.00 0.00 29.99 30.05 2gqj n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2gqj n SER 79 N 1.84 0.71 -4.58 0.41 2.88 0.13 -3.92 113.62 111.08 2gqj n SER 79 Ca 0.25 0.66 -0.37 0.00 -1.33 0.00 0.00 58.87 58.09 2gqj n SER 79 Cb 0.37 -0.72 -0.03 0.00 -0.75 0.00 0.00 64.21 63.08 2gqj n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gqj s ALA 80 N 4.16 2.64 0.10 -1.46 0.00 -1.26 -4.95 121.76 120.99 2gqj s ALA 80 Ca 0.93 -2.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.21 2gqj s ALA 80 Cb -1.21 -4.65 -0.07 0.00 0.00 0.00 0.00 23.12 17.20 2gqj s ALA 80 CO 0.57 -4.12 0.51 -1.59 0.00 0.00 0.00 175.76 171.13 2gqj s LYS 81 N 5.24 3.97 0.30 0.00 0.00 -1.26 -5.06 119.74 122.93 2gqj s LYS 81 Ca 0.60 0.47 -0.29 0.00 0.00 0.00 0.00 55.97 56.74 2gqj s LYS 81 Cb 0.02 -3.03 -0.10 0.00 0.00 0.00 0.00 37.83 34.72 2gqj s LYS 81 CO 0.09 0.55 1.23 -1.25 0.00 0.00 0.00 175.35 175.96 2gqj s PRO 82 N -1.70 4.46 0.04 1.78 0.04 -1.26 -5.05 135.00 133.31 2gqj s PRO 82 Ca 0.34 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.46 2gqj s PRO 82 Cb -0.16 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 2gqj s PRO 82 CO 0.18 -0.05 -0.10 0.45 0.04 0.00 0.00 177.00 177.53 2gqj s SER 83 N -0.57 1.09 0.99 6.66 0.15 -1.26 -5.13 113.70 115.63 2gqj s SER 83 Ca 0.48 -0.48 -0.17 0.00 0.70 0.00 0.00 55.95 56.48 2gqj s SER 83 Cb -0.37 -0.02 -0.11 0.00 -1.71 0.00 0.00 66.02 63.81 2gqj s SER 83 CO 0.48 -0.10 -0.61 -0.90 1.20 0.00 0.00 173.24 173.31 2gqj n ASP 84 N 1.72 -5.06 -4.63 5.45 5.68 -1.26 -4.76 116.55 113.70 2gqj n ASP 84 Ca -0.20 0.19 -0.45 0.00 -0.50 0.00 0.00 54.79 53.83 2gqj n ASP 84 Cb 0.55 -0.83 -0.02 0.00 -1.14 0.00 0.00 41.12 39.67 2gqj n ASP 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gqj n ALA 85 N -2.80 0.30 -2.44 2.12 0.00 -1.26 -4.99 120.51 111.44 2gqj n ALA 85 Ca -0.00 0.41 -0.25 0.00 0.00 0.00 0.00 53.44 53.60 2gqj n ALA 85 Cb 0.57 -2.14 -0.12 0.00 0.00 0.00 0.00 19.45 17.76 2gqj n ALA 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2gqj s GLU 86 N -0.89 1.41 -1.32 0.00 2.56 -1.26 -4.74 118.70 114.46 2gqj s GLU 86 Ca 0.65 -1.45 -0.06 0.00 0.00 0.00 0.00 54.97 54.11 2gqj s GLU 86 Cb -0.70 -1.67 0.01 0.00 2.00 0.00 0.00 34.13 33.76 2gqj s GLU 86 CO 0.55 0.36 1.12 0.00 -0.56 0.00 0.00 175.26 176.73 2gqj n ALA 87 N 0.40 -1.53 -0.08 6.30 0.00 -1.26 -4.92 120.51 119.43 2gqj n ALA 87 Ca -0.14 0.26 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 2gqj n ALA 87 Cb 0.56 -4.56 -0.06 0.00 0.00 0.00 0.00 19.45 15.39 2gqj n ALA 87 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2gqj n SER 88 N -3.05 1.59 -0.05 0.00 7.64 -1.26 -4.70 113.62 113.80 2gqj n SER 88 Ca -0.08 0.11 -0.11 0.00 1.01 0.00 0.00 58.87 59.80 2gqj n SER 88 Cb 0.59 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.36 2gqj n SER 88 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2gqj h GLU 89 N -0.39 0.28 -4.76 1.43 5.08 -1.94 -3.37 114.58 110.91 2gqj h GLU 89 Ca -0.37 -0.07 -0.71 0.00 -1.00 0.00 0.00 59.36 57.21 2gqj h GLU 89 Cb 1.38 -0.04 -0.19 0.00 0.50 0.00 0.00 28.75 30.40 2gqj h GLU 89 CO -0.18 0.42 0.71 0.20 -1.00 0.00 0.00 179.01 179.16 2gqj s GLY 90 N -2.85 2.12 0.00 -3.84 0.00 -1.26 -4.27 107.32 97.21 2gqj s GLY 90 Ca -0.14 -2.93 0.00 0.00 0.00 0.00 0.00 44.72 41.65 2gqj s GLY 90 CO 0.71 1.86 0.00 0.61 0.00 0.00 0.00 173.10 176.28 2gqj n GLY 91 N 5.08 0.00 3.56 0.20 0.00 -1.26 -4.92 105.19 107.85 2gqj n GLY 91 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 2.96 -0.06 1.61 2.12 -1.26 -4.97 118.70 119.10 2gqj s GLU 92 Ca 0.00 0.46 0.03 0.00 0.36 0.00 0.00 54.97 55.82 2gqj s GLU 92 Cb 0.00 -4.27 0.00 0.00 0.26 0.00 0.00 34.13 30.13 2gqj s GLU 92 CO 0.00 -2.36 -0.16 0.45 -0.54 0.00 0.00 175.26 172.66 2gqj s SER 93 N 6.17 2.07 0.00 -1.70 0.15 -1.26 -5.11 113.70 114.02 2gqj s SER 93 Ca 0.58 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2gqj s SER 93 Cb -0.12 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 2gqj s SER 93 CO 0.21 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.36 2gqj n GLY 94 N 3.47 0.86 3.76 9.45 0.00 -1.26 -5.17 105.19 116.30 2gqj n GLY 94 Ca -0.20 0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 2.11 -0.67 1.61 0.04 -1.26 -4.96 135.00 131.86 2gqj s PRO 95 Ca 0.00 1.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.91 2gqj s PRO 95 Cb 0.00 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.70 2gqj s PRO 95 CO 0.00 -1.74 1.12 -1.12 0.04 0.00 0.00 177.00 175.30 2gqj s SER 96 N -3.39 6.22 0.36 6.66 0.01 -1.26 -5.01 113.70 117.29 2gqj s SER 96 Ca 0.61 -0.56 0.08 0.00 1.31 0.00 0.00 55.95 57.40 2gqj s SER 96 Cb -0.17 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 2gqj s SER 96 CO 0.56 -1.59 0.14 -0.94 0.41 0.00 0.00 173.24 171.83 2gqj s SER 97 N 3.52 4.57 0.00 2.44 1.04 -1.26 -5.39 113.70 118.62 2gqj s SER 97 Ca 0.31 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2gqj s SER 97 Cb -0.12 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.37 2gqj s SER 97 CO 0.15 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.62