#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqj n SER 2 N 0.00 -1.10 -4.61 1.61 3.41 -1.26 -4.93 113.62 106.74 2gqj n SER 2 Ca 0.00 0.66 -0.39 0.00 -0.26 0.00 0.00 58.87 58.88 2gqj n SER 2 Cb 0.00 -1.20 -0.09 0.00 -0.26 0.00 0.00 64.21 62.66 2gqj n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2gqj s SER 3 N -1.32 6.28 -0.30 4.04 1.04 -1.26 -4.98 113.70 117.21 2gqj s SER 3 Ca 0.67 0.33 -0.11 0.00 0.48 0.00 0.00 55.95 57.32 2gqj s SER 3 Cb -0.39 -2.22 0.18 0.00 0.10 0.00 0.00 66.02 63.69 2gqj s SER 3 CO 0.56 -0.20 1.00 -0.83 0.98 0.00 0.00 173.24 174.75 2gqj s GLY 4 N 1.62 -0.59 -1.73 7.32 0.00 -1.26 -4.96 107.32 107.72 2gqj s GLY 4 Ca 0.16 2.46 -0.16 0.00 0.00 0.00 0.00 44.72 47.17 2gqj s GLY 4 CO 0.10 3.86 0.57 -1.14 0.00 0.00 0.00 173.10 176.49 2gqj n SER 5 N 5.37 -1.87 -4.69 1.64 3.41 -1.26 -4.92 113.62 111.31 2gqj n SER 5 Ca -0.02 -1.14 -0.24 0.00 -0.26 0.00 0.00 58.87 57.21 2gqj n SER 5 Cb 0.55 -2.18 0.10 0.00 -0.26 0.00 0.00 64.21 62.42 2gqj n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2gqj s SER 6 N -3.53 4.40 0.00 4.04 1.04 -1.26 -5.07 113.70 113.31 2gqj s SER 6 Ca 0.61 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2gqj s SER 6 Cb -0.34 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.39 2gqj s SER 6 CO 0.97 -1.83 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2gqj n GLY 7 N -2.91 0.49 3.58 7.32 0.00 -1.26 -5.08 105.19 107.34 2gqj n GLY 7 Ca 0.13 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 0.70 3.08 0.03 1.61 0.04 -1.26 -4.92 135.00 134.28 2gqj s PRO 8 Ca 0.00 1.02 -0.09 0.00 0.04 0.00 0.00 61.00 61.97 2gqj s PRO 8 Cb 0.00 -4.25 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 2gqj s PRO 8 CO 0.00 -2.18 1.14 0.78 0.04 0.00 0.00 177.00 176.79 2gqj h GLY 9 N 14.60 -1.74 0.00 0.56 0.00 -1.98 -3.49 103.07 111.03 2gqj h GLY 9 Ca -0.30 0.83 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2gqj h GLY 9 CO 1.12 -0.59 0.00 0.61 0.00 0.00 0.00 176.54 177.67 2gqj n GLY 10 N -1.10 0.76 0.26 4.60 0.00 -1.26 -4.80 105.19 103.65 2gqj n GLY 10 Ca -0.01 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.22 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 0.00 -2.59 1.61 0.13 -2.05 -3.35 132.00 125.75 2gqj h PRO 11 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 2gqj h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2gqj h PRO 11 CO 0.00 0.10 -0.84 0.39 -0.23 0.00 0.00 178.00 177.42 2gqj n GLU 12 N -3.27 0.82 -0.10 0.86 1.02 -1.26 -4.94 120.64 113.78 2gqj n GLU 12 Ca 0.00 -3.66 -0.15 0.00 -0.02 0.00 0.00 57.16 53.32 2gqj n GLU 12 Cb 0.34 -1.88 -0.06 0.00 -0.02 0.00 0.00 31.44 29.82 2gqj n GLU 12 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2gqj n GLU 13 N 2.44 0.53 -0.03 3.49 2.13 -1.26 -4.03 120.64 123.91 2gqj n GLU 13 Ca 0.26 0.42 -0.21 0.00 0.66 0.00 0.00 57.16 58.30 2gqj n GLU 13 Cb 0.44 -1.61 -0.13 0.00 0.27 0.00 0.00 31.44 30.40 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 0.17 -0.75 5.31 5.75 -1.93 -3.30 115.11 119.35 2gqj h GLN 14 Ca -0.24 -0.28 0.08 0.00 -0.15 0.00 0.00 58.65 58.06 2gqj h GLN 14 Cb 1.05 0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.66 2gqj h GLN 14 CO -0.14 1.14 0.49 -1.49 -2.65 0.00 0.00 178.83 176.18 2gqj h TRP 15 N -0.48 0.77 -0.00 3.99 6.55 -1.92 0.60 115.95 125.45 2gqj h TRP 15 Ca -0.31 0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.46 2gqj h TRP 15 Cb 1.63 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 29.66 2gqj h TRP 15 CO 0.12 0.39 -0.39 0.37 -1.05 0.00 0.00 178.44 177.88 2gqj h GLN 16 N 0.75 0.00 0.00 0.49 5.75 -1.71 0.60 115.11 120.99 2gqj h GLN 16 Ca 0.33 -0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.64 2gqj h GLN 16 Cb 0.33 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 2gqj h GLN 16 CO -0.12 0.39 -1.48 -2.13 -2.65 0.00 0.00 178.83 172.85 2gqj n ARG 17 N -4.07 0.62 0.05 1.69 0.63 -0.11 -2.62 116.66 112.86 2gqj n ARG 17 Ca -0.02 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 2gqj n ARG 17 Cb 0.42 -1.81 -0.06 0.00 0.45 0.00 0.00 32.46 31.46 2gqj n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2gqj h ALA 18 N 1.32 0.65 0.00 5.13 0.00 0.31 -3.22 119.26 123.44 2gqj h ALA 18 Ca -0.19 -0.78 -0.10 0.00 0.00 0.00 0.00 54.91 53.84 2gqj h ALA 18 Cb 1.69 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2gqj h ALA 18 CO 0.05 0.88 -0.64 0.82 0.00 0.00 0.00 179.25 180.36 2gqj h ILE 19 N 0.00 0.83 0.00 0.00 2.04 0.07 -2.99 117.51 117.46 2gqj h ILE 19 Ca -0.13 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 63.89 2gqj h ILE 19 Cb 1.56 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 2gqj h ILE 19 CO 0.05 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.49 2gqj n HIS 20 N -4.56 0.00 -0.11 1.37 1.44 -1.08 -0.79 115.22 111.50 2gqj n HIS 20 Ca -0.18 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.30 2gqj n HIS 20 Cb 0.46 -0.32 -0.12 0.00 0.12 0.00 0.00 29.99 30.13 2gqj n HIS 20 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 2gqj n GLU 21 N -1.32 0.63 -0.01 -1.40 2.13 -1.22 -4.86 120.64 114.59 2gqj n GLU 21 Ca 0.04 0.29 -0.01 0.00 0.66 0.00 0.00 57.16 58.13 2gqj n GLU 21 Cb 0.07 -1.58 -0.00 0.00 0.27 0.00 0.00 31.44 30.19 2gqj n GLU 21 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2gqj n ARG 22 N -3.87 0.06 0.00 5.31 1.74 -1.02 -5.09 116.66 113.80 2gqj n ARG 22 Ca -0.44 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 2gqj n ARG 22 Cb 0.91 -0.53 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 2gqj n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gqj n GLY 23 N 1.81 -0.19 3.38 -0.13 0.00 0.03 -5.05 105.19 105.04 2gqj n GLY 23 Ca -0.01 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 1.04 -0.81 1.61 1.03 -1.26 -4.72 118.70 113.59 2gqj s GLU 24 Ca 0.00 -0.28 -0.01 0.00 0.03 0.00 0.00 54.97 54.71 2gqj s GLU 24 Cb 0.00 0.47 0.20 0.00 -0.80 0.00 0.00 34.13 34.00 2gqj s GLU 24 CO 0.00 -0.38 0.67 0.00 -1.33 0.00 0.00 175.26 174.22 2gqj s ALA 25 N -2.56 4.05 1.21 -0.84 0.00 -1.26 -4.77 121.76 117.59 2gqj s ALA 25 Ca -0.05 -3.71 -0.17 0.00 0.00 0.00 0.00 51.96 48.03 2gqj s ALA 25 Cb -0.01 -2.72 0.24 0.00 0.00 0.00 0.00 23.12 20.64 2gqj s ALA 25 CO -0.03 -2.14 0.58 1.33 0.00 0.00 0.00 175.76 175.50 2gqj n VAL 26 N 2.54 0.00 -2.06 0.00 0.24 -1.26 -4.85 118.33 112.94 2gqj n VAL 26 Ca 0.18 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 2gqj n VAL 26 Cb 0.37 -0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 31.91 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 7.07 0.49 -0.05 0.00 -0.04 -1.26 0.88 135.00 142.08 2gqj n PRO 28 Ca 0.17 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.56 2gqj n PRO 28 Cb 0.43 -1.29 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.79 1.43 0.17 0.52 -1.04 -1.26 -4.83 114.28 108.47 2gqj n THR 29 Ca 0.07 0.22 0.03 0.00 -2.04 0.00 0.00 64.05 62.32 2gqj n THR 29 Cb 0.03 -2.13 -0.04 0.00 -1.82 0.00 0.00 70.33 66.37 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 -1.37 -3.56 -3.32 0.00 4.13 0.25 -4.96 115.26 106.43 2gqj n ASN 31 Ca 0.00 -0.58 -0.08 0.00 1.68 0.00 0.00 54.58 55.61 2gqj n ASN 31 Cb 0.12 -4.63 -0.07 0.00 -1.54 0.00 0.00 39.78 33.66 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 -3.33 -0.65 0.19 2.41 -7.23 -1.26 -4.72 120.40 105.81 2gqj s VAL 32 Ca 0.15 -0.09 -0.17 0.00 -1.81 0.00 0.00 61.98 60.06 2gqj s VAL 32 Cb -0.02 -0.86 0.06 0.00 0.56 0.00 0.00 36.38 36.13 2gqj s VAL 32 CO 0.65 -0.13 0.83 1.33 -0.31 0.00 0.00 175.10 177.47 2gqj n VAL 33 N 5.37 0.00 -1.15 1.32 0.24 -1.26 -4.73 118.33 118.12 2gqj n VAL 33 Ca -0.03 -0.54 -0.37 0.00 -2.04 0.00 0.00 64.34 61.37 2gqj n VAL 33 Cb 0.50 0.68 0.04 0.00 -1.47 0.00 0.00 33.84 33.60 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 -0.58 0.58 -0.15 3.34 -1.04 -1.26 -4.82 114.28 110.35 2gqj n THR 34 Ca -0.03 -0.45 0.01 0.00 -2.04 0.00 0.00 64.05 61.54 2gqj n THR 34 Cb 0.49 -0.28 0.29 0.00 -1.82 0.00 0.00 70.33 69.01 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 -0.50 0.85 0.02 -2.82 2.47 -2.02 -2.25 114.38 110.12 2gqj h ARG 35 Ca -0.43 -0.06 -0.23 0.00 -1.26 0.00 0.00 59.98 57.99 2gqj h ARG 35 Cb 1.36 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.47 2gqj h ARG 35 CO 0.36 0.59 -1.12 0.87 0.56 0.00 0.00 179.97 181.23 2gqj h LYS 36 N 0.87 0.04 -6.27 0.04 1.79 -1.95 -3.46 116.57 107.64 2gqj h LYS 36 Ca 0.23 -0.06 -0.46 0.00 -2.18 0.00 0.00 60.65 58.17 2gqj h LYS 36 Cb -0.06 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 2gqj h LYS 36 CO -0.05 0.98 -0.78 0.25 -1.08 0.00 0.00 179.45 178.77 2gqj n THR 37 N -3.34 -2.66 0.00 -0.16 -2.24 -0.85 -4.47 114.28 100.56 2gqj n THR 37 Ca -0.03 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2gqj n THR 37 Cb 0.96 -3.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.15 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 -4.57 0.86 -0.11 3.22 -0.00 -1.26 -4.52 117.00 110.62 2gqj n LEU 38 Ca -0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.78 2gqj n LEU 38 Cb 0.57 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.86 2gqj n LEU 38 CO 0.74 0.14 -1.25 1.33 -0.00 0.00 0.00 177.39 178.35 2gqj n VAL 39 N -2.85 1.52 0.10 1.96 0.24 -1.26 -4.34 118.33 113.71 2gqj n VAL 39 Ca 0.00 -0.61 -0.02 0.00 -2.04 0.00 0.00 64.34 61.67 2gqj n VAL 39 Cb 0.49 -1.36 -0.04 0.00 -1.47 0.00 0.00 33.84 31.46 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 2.10 0.00 0.96 7.63 0.00 -1.96 -3.19 103.07 108.62 2gqj h GLY 40 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2gqj h GLY 40 CO -0.05 0.00 0.01 -2.00 0.00 0.00 0.00 176.54 174.50 2gqj h LEU 41 N 0.00 0.01 0.51 3.11 5.85 -1.79 0.20 115.31 123.19 2gqj h LEU 41 Ca -0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2gqj h LEU 41 Cb 1.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.61 2gqj h LEU 41 CO 0.10 0.02 -0.24 0.11 -0.34 0.00 0.00 178.44 178.08 2gqj h LYS 42 N 0.04 -0.65 -0.02 1.25 1.57 -1.76 0.53 116.57 117.53 2gqj h LYS 42 Ca 0.02 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2gqj h LYS 42 Cb 0.01 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2gqj h LYS 42 CO -0.02 -0.36 0.08 0.87 -0.57 0.00 0.00 179.45 179.45 2gqj h LYS 43 N -0.87 0.00 0.00 3.15 1.57 -1.53 -2.82 116.57 116.07 2gqj h LYS 43 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2gqj h LYS 43 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2gqj h LYS 43 CO 0.11 0.00 -0.10 1.25 -0.57 0.00 0.00 179.45 180.14 2gqj h HIS 44 N 0.00 0.00 -0.38 -1.35 2.76 -0.21 -3.32 115.15 112.64 2gqj h HIS 44 Ca 0.01 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.29 2gqj h HIS 44 Cb 0.18 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 2gqj h HIS 44 CO 0.00 0.00 0.89 0.00 -1.30 0.00 0.00 177.93 177.52 2gqj h MET 45 N -0.85 0.00 0.13 5.26 -0.00 -0.70 0.57 114.93 119.34 2gqj h MET 45 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.72 2gqj h MET 45 Cb 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.67 2gqj h MET 45 CO 0.00 0.00 -0.32 0.93 -0.00 0.00 0.00 176.91 177.52 2gqj h GLU 46 N 0.00 -0.53 0.04 -0.10 5.08 -1.61 -3.12 114.58 114.35 2gqj h GLU 46 Ca 0.18 0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.29 2gqj h GLU 46 Cb 1.95 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 31.29 2gqj h GLU 46 CO -0.00 -0.35 -1.60 -0.39 -1.00 0.00 0.00 179.01 175.67 2gqj h VAL 47 N -0.55 1.02 0.00 3.13 -1.51 -1.13 -3.38 116.25 113.84 2gqj h VAL 47 Ca 0.03 -2.79 0.00 0.00 -1.23 0.00 0.00 66.70 62.71 2gqj h VAL 47 Cb 0.57 2.57 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 2gqj h VAL 47 CO -0.18 0.68 0.00 0.00 -1.23 0.00 0.00 177.57 176.84 2gqj h GLN 49 N 0.00 0.29 -0.10 0.00 4.15 -1.76 1.19 115.11 118.87 2gqj h GLN 49 Ca 0.00 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 2gqj h GLN 49 Cb 0.00 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2gqj h GLN 49 CO 0.00 0.19 -0.17 -0.22 -1.93 0.00 0.00 178.83 176.70 2gqj h LYS 50 N 0.30 0.16 0.00 1.69 3.64 -0.57 -2.58 116.57 119.21 2gqj h LYS 50 Ca 0.66 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 2gqj h LYS 50 Cb 1.43 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2gqj h LYS 50 CO -0.62 0.33 -0.04 -0.07 -2.27 0.00 0.00 179.45 176.78 2gqj h LEU 51 N 0.15 0.00 -1.42 5.20 3.38 0.80 -3.22 115.31 120.20 2gqj h LEU 51 Ca 0.03 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.21 2gqj h LEU 51 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2gqj h LEU 51 CO 0.02 0.50 0.89 0.06 0.09 0.00 0.00 178.44 180.00 2gqj h GLN 52 N -0.96 0.00 0.04 1.13 3.07 -0.72 1.14 115.11 118.81 2gqj h GLN 52 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.48 2gqj h GLN 52 Cb 0.04 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.61 2gqj h GLN 52 CO 0.00 0.00 -1.06 0.22 0.09 0.00 0.00 178.83 178.08 2gqj h ASP 53 N 0.00 0.69 0.29 0.06 3.58 -1.55 -2.63 116.42 116.87 2gqj h ASP 53 Ca 0.35 -0.59 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 2gqj h ASP 53 Cb 2.13 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.97 2gqj h ASP 53 CO -0.00 1.40 -0.14 0.00 -2.88 0.00 0.00 179.24 177.62 2gqj h ALA 54 N 0.54 -0.39 -0.70 -0.78 0.00 0.13 -3.17 119.26 114.89 2gqj h ALA 54 Ca -0.12 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.65 2gqj h ALA 54 Cb 1.72 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.62 2gqj h ALA 54 CO 0.19 -0.53 0.46 -0.07 0.00 0.00 0.00 179.25 179.31 2gqj h LEU 55 N -0.78 0.69 -9.16 0.00 -0.00 -1.54 -3.43 115.31 101.10 2gqj h LEU 55 Ca -0.04 -0.00 -0.74 0.00 -0.00 0.00 0.00 57.88 57.10 2gqj h LEU 55 Cb 0.51 -0.15 0.03 0.00 -0.00 0.00 0.00 40.66 41.04 2gqj h LEU 55 CO 0.07 0.47 0.69 1.17 -0.00 0.00 0.00 178.44 180.83 2gqj n LYS 56 N -4.47 0.98 -0.98 1.13 4.81 -0.99 -4.62 118.16 114.03 2gqj n LYS 56 Ca 0.09 0.36 -0.26 0.00 -0.87 0.00 0.00 58.31 57.63 2gqj n LYS 56 Cb 0.17 -2.00 0.21 0.00 0.02 0.00 0.00 35.03 33.43 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 -4.31 0.06 -0.23 0.00 -0.06 -1.26 -3.66 117.38 107.92 2gqj n GLN 58 Ca 0.13 0.02 0.03 0.00 -2.00 0.00 0.00 57.00 55.19 2gqj n GLN 58 Cb 0.51 -0.50 0.14 0.00 -4.06 0.00 0.00 30.24 26.33 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 -0.11 0.10 0.00 3.69 3.86 -1.96 -2.68 115.15 118.05 2gqj h HIS 59 Ca 0.00 0.04 -0.29 0.00 -1.16 0.00 0.00 60.37 58.97 2gqj h HIS 59 Cb 0.11 0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.59 2gqj h HIS 59 CO -0.05 -0.13 -2.23 0.00 0.86 0.00 0.00 177.93 176.38 2gqj n ARG 61 N -2.69 -5.83 -4.26 0.00 1.74 -1.01 -5.01 116.66 99.60 2gqj n ARG 61 Ca -0.26 0.84 -0.30 0.00 -0.77 0.00 0.00 57.85 57.37 2gqj n ARG 61 Cb 1.03 -5.82 -0.10 0.00 -1.02 0.00 0.00 32.46 26.55 2gqj n ARG 61 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2gqj s LYS 62 N -5.18 2.25 0.07 5.56 1.02 -1.26 -4.80 119.74 117.40 2gqj s LYS 62 Ca 0.08 -0.95 -0.23 0.00 0.02 0.00 0.00 55.97 54.88 2gqj s LYS 62 Cb -0.01 -2.36 -0.06 0.00 -0.52 0.00 0.00 37.83 34.87 2gqj s LYS 62 CO 0.72 0.53 0.71 -1.14 -0.92 0.00 0.00 175.35 175.25 2gqj s GLN 63 N -2.09 4.44 -0.14 1.68 -0.44 -1.26 -1.90 119.66 119.94 2gqj s GLN 63 Ca 0.21 0.98 0.00 0.00 -2.50 0.00 0.00 55.36 54.05 2gqj s GLN 63 Cb -0.11 -3.32 0.02 0.00 -1.64 0.00 0.00 33.01 27.97 2gqj s GLN 63 CO 0.13 0.42 -0.13 -0.06 0.50 0.00 0.00 175.29 176.16 2gqj s PHE 64 N -0.51 2.06 -0.13 1.67 0.08 -1.26 -5.00 117.98 114.89 2gqj s PHE 64 Ca 0.35 -1.16 0.01 0.00 0.12 0.00 0.00 56.93 56.25 2gqj s PHE 64 Cb -0.21 -1.54 0.17 0.00 -0.57 0.00 0.00 43.02 40.88 2gqj s PHE 64 CO 0.22 -0.65 1.38 0.36 -0.10 0.00 0.00 175.22 176.43 2gqj n LYS 65 N 4.80 1.36 -3.62 0.44 0.00 -1.26 -4.78 118.16 115.10 2gqj n LYS 65 Ca -0.16 -0.84 -0.09 0.00 -0.00 0.00 0.00 58.31 57.21 2gqj n LYS 65 Cb 0.50 -1.33 -0.07 0.00 -0.00 0.00 0.00 35.03 34.13 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 0.46 -0.43 0.01 -5.58 0.15 -1.26 -5.06 113.70 102.00 2gqj s SER 66 Ca 0.16 0.74 -0.20 0.00 0.70 0.00 0.00 55.95 57.35 2gqj s SER 66 Cb 0.13 0.73 -0.21 0.00 -1.71 0.00 0.00 66.02 64.96 2gqj s SER 66 CO 0.02 -0.20 1.15 0.50 1.20 0.00 0.00 173.24 175.92 2gqj h LYS 67 N 3.78 0.39 -0.94 5.44 1.63 -2.01 -3.19 116.57 121.68 2gqj h LYS 67 Ca -0.26 -0.36 0.07 0.00 -0.85 0.00 0.00 60.65 59.26 2gqj h LYS 67 Cb 1.17 0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 32.83 2gqj h LYS 67 CO 0.16 1.01 0.61 0.00 -3.45 0.00 0.00 179.45 177.78 2gqj h ALA 68 N 0.38 1.50 -0.05 5.00 0.00 -2.00 -1.85 119.26 122.24 2gqj h ALA 68 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2gqj h ALA 68 Cb 1.13 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2gqj h ALA 68 CO 0.09 0.35 0.04 0.78 0.00 0.00 0.00 179.25 180.51 2gqj h GLY 69 N 1.05 0.08 0.99 0.00 0.00 -1.97 -2.78 103.07 100.43 2gqj h GLY 69 Ca 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 2gqj h GLY 69 CO -0.16 0.03 0.31 -2.00 0.00 0.00 0.00 176.54 174.71 2gqj h LEU 70 N 0.07 0.66 -0.22 3.11 5.85 -1.44 0.40 115.31 123.74 2gqj h LEU 70 Ca 0.02 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2gqj h LEU 70 Cb -0.00 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 2gqj h LEU 70 CO -0.00 0.55 -0.53 0.78 -0.34 0.00 0.00 178.44 178.90 2gqj h ASN 71 N 0.72 -1.70 0.51 1.25 2.35 -1.16 0.17 115.58 117.72 2gqj h ASN 71 Ca 0.19 0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 56.13 2gqj h ASN 71 Cb 0.02 0.68 0.01 0.00 0.05 0.00 0.00 38.32 39.07 2gqj h ASN 71 CO -0.03 -0.45 -0.25 0.22 -1.65 0.00 0.00 177.43 175.27 2gqj h TYR 72 N -0.51 -0.64 -1.00 1.19 5.03 -1.42 -3.28 116.97 116.35 2gqj h TYR 72 Ca 0.06 -0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.46 2gqj h TYR 72 Cb 0.65 0.21 -0.14 0.00 1.55 0.00 0.00 36.73 39.01 2gqj h TYR 72 CO -0.61 -0.32 -0.52 1.58 -1.32 0.00 0.00 178.16 176.97 2gqj n HIS 73 N -5.27 -0.27 -0.31 -3.82 -0.00 0.12 0.03 115.22 105.71 2gqj n HIS 73 Ca -0.11 1.24 0.10 0.00 0.46 0.00 0.00 57.72 59.41 2gqj n HIS 73 Cb 0.32 -0.69 0.20 0.00 -0.12 0.00 0.00 29.99 29.70 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 -5.33 -0.37 -0.01 3.57 -1.04 0.57 0.03 114.28 111.70 2gqj n THR 74 Ca 0.05 1.96 -0.09 0.00 -2.04 0.00 0.00 64.05 63.93 2gqj n THR 74 Cb 0.31 -2.80 -0.07 0.00 -1.82 0.00 0.00 70.33 65.95 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 -0.10 -0.54 -2.82 1.85 -0.48 0.24 114.93 113.09 2gqj h MET 75 Ca 0.48 0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.64 2gqj h MET 75 Cb 0.90 0.02 -0.09 0.00 0.43 0.00 0.00 31.60 32.86 2gqj h MET 75 CO -0.86 0.40 -0.57 0.00 -0.40 0.00 0.00 176.91 175.49 2gqj h ALA 76 N -0.38 -0.74 0.05 0.39 0.00 0.11 0.69 119.26 119.39 2gqj h ALA 76 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2gqj h ALA 76 Cb 0.54 1.19 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2gqj h ALA 76 CO 0.02 -1.04 -0.03 0.93 0.00 0.00 0.00 179.25 179.13 2gqj h GLU 77 N -0.31 -0.07 -2.70 0.00 4.39 -0.55 -3.38 114.58 111.95 2gqj h GLU 77 Ca 0.09 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 59.06 2gqj h GLU 77 Cb 0.55 0.02 -0.33 0.00 -0.10 0.00 0.00 28.75 28.89 2gqj h GLU 77 CO -0.67 0.49 0.30 0.72 -1.16 0.00 0.00 179.01 178.68 2gqj n HIS 78 N -4.76 2.81 -2.36 4.33 8.25 0.85 -5.05 115.22 119.29 2gqj n HIS 78 Ca -0.07 -3.16 -0.36 0.00 -0.26 0.00 0.00 57.72 53.87 2gqj n HIS 78 Cb 0.29 -1.03 -0.02 0.00 1.12 0.00 0.00 29.99 30.35 2gqj n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2gqj s SER 79 N -1.93 6.19 -0.87 0.41 0.15 0.24 -3.87 113.70 114.02 2gqj s SER 79 Ca 0.34 2.16 -0.26 0.00 0.70 0.00 0.00 55.95 58.89 2gqj s SER 79 Cb 0.08 -2.59 -0.22 0.00 -1.71 0.00 0.00 66.02 61.58 2gqj s SER 79 CO 0.06 -0.89 1.95 0.00 1.20 0.00 0.00 173.24 175.55 2gqj n ALA 80 N -0.70 1.10 -2.56 5.45 0.00 -1.26 -4.85 120.51 117.69 2gqj n ALA 80 Ca 0.08 -2.65 -0.19 0.00 0.00 0.00 0.00 53.44 50.68 2gqj n ALA 80 Cb 0.50 -3.49 -0.12 0.00 0.00 0.00 0.00 19.45 16.34 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 7.31 1.00 0.00 0.00 -0.14 -1.26 -5.02 119.74 121.63 2gqj s LYS 81 Ca 0.73 -1.16 0.15 0.00 -1.36 0.00 0.00 55.97 54.33 2gqj s LYS 81 Cb 0.02 -0.98 0.84 0.00 -1.68 0.00 0.00 37.83 36.03 2gqj s LYS 81 CO 0.20 0.20 1.38 -0.35 -0.76 0.00 0.00 175.35 176.02 2gqj n PRO 82 N 0.80 0.35 -0.81 -1.68 -0.04 -1.26 -4.82 135.00 127.54 2gqj n PRO 82 Ca -0.17 0.07 -0.31 0.00 -0.04 0.00 0.00 63.50 63.05 2gqj n PRO 82 Cb 0.56 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.67 2gqj n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gqj s SER 83 N -2.29 3.17 0.14 3.54 0.15 -1.26 -5.03 113.70 112.11 2gqj s SER 83 Ca 0.19 2.18 0.07 0.00 0.70 0.00 0.00 55.95 59.08 2gqj s SER 83 Cb 0.10 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2gqj s SER 83 CO 0.20 -2.94 -0.05 1.51 1.20 0.00 0.00 173.24 173.17 2gqj s ASP 84 N -2.68 4.60 0.24 5.45 1.47 -1.26 -5.14 116.67 119.35 2gqj s ASP 84 Ca 0.67 -0.39 -0.05 0.00 1.18 0.00 0.00 52.55 53.96 2gqj s ASP 84 Cb -0.23 -0.93 -0.02 0.00 -0.34 0.00 0.00 42.92 41.40 2gqj s ASP 84 CO 0.57 0.13 0.31 0.00 0.68 0.00 0.00 175.17 176.86 2gqj s ALA 85 N -1.49 0.62 -0.23 2.11 0.00 -1.26 -5.14 121.76 116.38 2gqj s ALA 85 Ca 0.25 -1.39 -0.19 0.00 0.00 0.00 0.00 51.96 50.63 2gqj s ALA 85 Cb -0.10 1.25 -0.03 0.00 0.00 0.00 0.00 23.12 24.24 2gqj s ALA 85 CO 0.16 -0.72 0.55 -2.00 0.00 0.00 0.00 175.76 173.75 2gqj s GLU 86 N -3.95 4.13 0.18 0.00 -6.30 -1.26 -5.06 118.70 106.45 2gqj s GLU 86 Ca 0.32 0.42 0.05 0.00 -2.50 0.00 0.00 54.97 53.25 2gqj s GLU 86 Cb 0.03 -3.61 -0.05 0.00 0.00 0.00 0.00 34.13 30.50 2gqj s GLU 86 CO 0.13 -0.28 -0.08 0.00 0.02 0.00 0.00 175.26 175.05 2gqj s ALA 87 N 2.07 1.65 -0.46 6.30 0.00 -1.26 -4.96 121.76 125.10 2gqj s ALA 87 Ca 0.24 -1.61 -0.29 0.00 0.00 0.00 0.00 51.96 50.30 2gqj s ALA 87 Cb -0.16 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2gqj s ALA 87 CO 0.09 -0.12 1.29 -1.12 0.00 0.00 0.00 175.76 175.90 2gqj s SER 88 N -3.24 6.45 0.06 0.00 0.01 -1.26 -4.91 113.70 110.82 2gqj s SER 88 Ca 0.21 0.60 -0.24 0.00 1.31 0.00 0.00 55.95 57.84 2gqj s SER 88 Cb 0.03 -2.55 -0.16 0.00 0.21 0.00 0.00 66.02 63.55 2gqj s SER 88 CO 0.04 -1.39 1.62 -0.08 0.41 0.00 0.00 173.24 173.85 2gqj h GLU 89 N 10.08 0.00 0.00 12.44 4.81 -2.01 -3.46 114.58 136.45 2gqj h GLU 89 Ca -0.25 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2gqj h GLU 89 Cb 1.08 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2gqj h GLU 89 CO 1.12 0.12 0.00 0.41 -0.73 0.00 0.00 179.01 179.93 2gqj n GLY 90 N -0.76 2.45 0.11 1.92 0.00 -1.26 -3.50 105.19 104.14 2gqj n GLY 90 Ca -0.07 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 2gqj n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gqj n GLY 91 N 0.00 -0.27 2.46 -0.02 0.00 -1.26 -5.03 105.19 101.06 2gqj n GLY 91 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2gqj n GLY 91 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gqj n GLU 92 N -3.10 -3.76 -3.34 1.61 0.00 -1.23 -4.99 120.64 105.83 2gqj n GLU 92 Ca -0.35 0.40 -0.45 0.00 0.00 0.00 0.00 57.16 56.77 2gqj n GLU 92 Cb 0.87 -4.14 -0.07 0.00 0.00 0.00 0.00 31.44 28.10 2gqj n GLU 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2gqj s SER 93 N -3.24 6.17 0.63 4.31 0.15 -1.26 -5.07 113.70 115.38 2gqj s SER 93 Ca 0.24 -1.48 -0.09 0.00 0.70 0.00 0.00 55.95 55.31 2gqj s SER 93 Cb -0.10 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 2gqj s SER 93 CO 0.35 -0.75 1.00 -0.83 1.20 0.00 0.00 173.24 174.21 2gqj s GLY 94 N 2.99 1.61 0.42 9.45 0.00 -1.26 -5.04 107.32 115.50 2gqj s GLY 94 Ca 0.04 -0.36 -0.24 0.00 0.00 0.00 0.00 44.72 44.16 2gqj s GLY 94 CO 0.06 -0.07 1.18 2.56 0.00 0.00 0.00 173.10 176.82 2gqj s PRO 95 N -5.15 3.92 0.50 2.90 0.04 -1.26 -5.01 135.00 130.95 2gqj s PRO 95 Ca 0.55 1.84 -0.20 0.00 0.04 0.00 0.00 61.00 63.22 2gqj s PRO 95 Cb -0.11 -2.57 -0.07 0.00 0.04 0.00 0.00 34.50 31.79 2gqj s PRO 95 CO 0.50 -0.43 1.09 -1.12 0.04 0.00 0.00 177.00 177.08 2gqj s SER 96 N -1.19 6.08 -0.15 6.66 0.01 -1.26 -4.99 113.70 118.85 2gqj s SER 96 Ca 0.60 2.08 -0.18 0.00 1.31 0.00 0.00 55.95 59.76 2gqj s SER 96 Cb -0.30 -2.58 -0.16 0.00 0.21 0.00 0.00 66.02 63.19 2gqj s SER 96 CO 0.38 -0.97 0.34 0.28 0.41 0.00 0.00 173.24 173.68 2gqj h SER 97 N 1.52 0.00 0.00 2.44 0.02 -2.07 -3.57 113.55 111.88 2gqj h SER 97 Ca -0.50 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 59.92 2gqj h SER 97 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2gqj h SER 97 CO 0.58 0.99 0.00 0.61 -1.14 0.00 0.00 176.83 177.87