#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqn s LYS 2 N 0.00 3.78 0.88 2.12 2.47 -0.39 -4.92 119.74 123.68 1gqn s LYS 2 Ca 0.00 0.42 -0.13 0.00 -1.56 0.00 0.00 55.97 54.70 1gqn s LYS 2 Cb 0.00 -3.81 0.13 0.00 -1.46 0.00 0.00 37.83 32.69 1gqn s LYS 2 CO 0.00 -0.90 1.17 0.95 0.16 0.00 0.00 175.35 176.73 1gqn s THR 3 N 3.27 1.99 -0.18 3.43 -4.23 -1.26 -4.14 115.64 114.51 1gqn s THR 3 Ca 0.34 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1gqn s THR 3 Cb -0.13 -2.87 0.03 0.00 1.34 0.00 0.00 72.50 70.87 1gqn s THR 3 CO 0.18 0.00 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.41 1gqn s VAL 4 N -3.45 1.88 -0.24 2.29 1.01 -0.39 -4.96 120.40 116.52 1gqn s VAL 4 Ca 0.64 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1gqn s VAL 4 Cb -0.12 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1gqn s VAL 4 CO 0.52 0.40 0.12 -0.89 0.00 0.00 0.00 175.10 175.24 1gqn s THR 5 N 1.34 4.87 -0.08 3.92 2.01 -1.26 0.05 115.64 126.49 1gqn s THR 5 Ca 0.03 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 1gqn s THR 5 Cb -0.14 -3.28 0.03 0.00 0.01 0.00 0.00 72.50 69.12 1gqn s THR 5 CO -0.11 0.34 -0.02 0.54 -0.69 0.00 0.00 174.62 174.68 1gqn s VAL 6 N 1.34 0.50 0.00 3.82 0.11 -0.43 -4.96 120.40 120.78 1gqn s VAL 6 Ca 0.06 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1gqn s VAL 6 Cb -0.15 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1gqn s VAL 6 CO 0.05 0.27 0.00 0.29 -3.33 0.00 0.00 175.10 172.39 1gqn n LYS 7 N 5.01 0.00 -1.03 1.54 5.02 -1.26 -0.47 118.16 126.96 1gqn n LYS 7 Ca -0.10 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.05 1gqn n LYS 7 Cb 0.50 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.70 1gqn n LYS 7 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1gqn n ASN 8 N 4.07 3.12 -4.58 4.39 4.13 -1.26 -4.94 115.26 120.19 1gqn n ASN 8 Ca 0.00 -3.71 -0.34 0.00 1.68 0.00 0.00 54.58 52.21 1gqn n ASN 8 Cb 0.00 -0.74 -0.11 0.00 -1.54 0.00 0.00 39.78 37.39 1gqn n ASN 8 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1gqn s LEU 9 N -3.28 3.49 -0.33 3.41 2.96 0.38 -5.09 118.68 120.21 1gqn s LEU 9 Ca 0.51 -0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 54.32 1gqn s LEU 9 Cb 0.45 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 45.30 1gqn s LEU 9 CO 0.05 0.22 0.16 -0.63 -1.32 0.00 0.00 176.35 174.83 1gqn s ILE 10 N 0.09 4.45 -0.14 6.68 1.01 -1.26 -1.31 121.20 130.72 1gqn s ILE 10 Ca 0.02 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 1gqn s ILE 10 Cb -0.13 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1gqn s ILE 10 CO 0.02 -0.05 0.40 -0.63 0.00 0.00 0.00 174.94 174.68 1gqn s ILE 11 N 1.57 5.24 0.00 2.92 1.01 0.11 -4.09 121.20 127.96 1gqn s ILE 11 Ca 0.03 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1gqn s ILE 11 Cb -0.18 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1gqn s ILE 11 CO 0.06 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1gqn n GLY 12 N 3.33 0.94 3.08 6.18 0.00 -1.26 -1.26 105.19 116.21 1gqn n GLY 12 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1gqn n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gqn s GLU 13 N -0.54 0.58 3.14 1.61 2.02 -1.26 -4.95 118.70 119.31 1gqn s GLU 13 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1gqn s GLU 13 Cb 0.00 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.84 1gqn s GLU 13 CO 0.00 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.76 1gqn n GLY 14 N 1.41 0.17 3.78 -1.39 0.00 -1.26 -4.79 105.19 103.11 1gqn n GLY 14 Ca -0.22 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 1gqn n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gqn s MET 15 N 0.00 3.26 0.42 1.61 -1.94 -1.26 -4.94 119.30 116.45 1gqn s MET 15 Ca 0.00 1.48 -0.25 0.00 -1.71 0.00 0.00 55.69 55.21 1gqn s MET 15 Cb 0.00 -2.00 -0.10 0.00 2.01 0.00 0.00 34.83 34.73 1gqn s MET 15 CO 0.00 -0.90 1.13 -2.30 -0.01 0.00 0.00 175.02 172.95 1gqn n PRO 16 N -1.62 1.61 -3.17 2.03 -0.02 -1.26 -4.95 135.00 127.61 1gqn n PRO 16 Ca 0.11 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.81 1gqn n PRO 16 Cb 0.52 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 1gqn n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1gqn s LYS 17 N -2.11 4.12 -0.25 -0.52 -0.14 -0.30 -4.83 119.74 115.70 1gqn s LYS 17 Ca 0.62 0.72 -0.13 0.00 -1.36 0.00 0.00 55.97 55.83 1gqn s LYS 17 Cb -0.54 -2.76 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 1gqn s LYS 17 CO 0.57 0.34 0.27 0.42 -0.76 0.00 0.00 175.35 176.19 1gqn s ILE 18 N -1.65 5.27 -0.10 2.17 1.01 -1.26 -0.55 121.20 126.09 1gqn s ILE 18 Ca 0.45 0.38 -0.04 0.00 0.00 0.00 0.00 60.65 61.44 1gqn s ILE 18 Cb -0.14 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1gqn s ILE 18 CO 0.20 0.25 0.06 -0.63 0.00 0.00 0.00 174.94 174.82 1gqn s ILE 19 N 1.56 4.84 0.11 2.92 1.01 0.17 -0.74 121.20 131.07 1gqn s ILE 19 Ca 0.12 -0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.80 1gqn s ILE 19 Cb -0.15 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1gqn s ILE 19 CO 0.08 0.61 -0.20 0.68 0.00 0.00 0.00 174.94 176.11 1gqn s VAL 20 N -0.90 1.67 -0.12 2.92 -7.23 -0.81 -1.31 120.40 114.61 1gqn s VAL 20 Ca 0.14 -1.56 -0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1gqn s VAL 20 Cb -0.12 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 1gqn s VAL 20 CO 0.03 -0.10 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.17 1gqn s SER 21 N -1.97 4.27 -0.13 4.85 0.01 -1.26 -0.16 113.70 119.30 1gqn s SER 21 Ca 0.07 -0.23 -0.07 0.00 1.31 0.00 0.00 55.95 57.03 1gqn s SER 21 Cb -0.10 -1.51 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 1gqn s SER 21 CO 0.04 0.21 0.11 -0.22 0.41 0.00 0.00 173.24 173.79 1gqn s LEU 22 N 0.09 4.16 -0.17 2.44 0.20 0.12 -4.96 118.68 120.57 1gqn s LEU 22 Ca -0.04 0.34 -0.04 0.00 0.69 0.00 0.00 54.13 55.07 1gqn s LEU 22 Cb -0.14 -2.02 0.08 0.00 -0.43 0.00 0.00 46.19 43.68 1gqn s LEU 22 CO 0.04 0.34 0.21 -0.04 -0.29 0.00 0.00 176.35 176.62 1gqn s MET 23 N -0.64 0.15 -0.08 1.98 -1.94 -1.26 -1.10 119.30 116.41 1gqn s MET 23 Ca 0.12 0.36 -0.10 0.00 -1.71 0.00 0.00 55.69 54.36 1gqn s MET 23 Cb -0.12 -0.84 0.02 0.00 2.01 0.00 0.00 34.83 35.91 1gqn s MET 23 CO 0.02 -0.53 0.27 0.20 -0.01 0.00 0.00 175.02 174.98 1gqn s GLY 24 N 2.33 -0.18 0.37 -0.03 0.00 -1.26 -4.90 107.32 103.65 1gqn s GLY 24 Ca 0.05 0.65 0.23 0.00 0.00 0.00 0.00 44.72 45.65 1gqn s GLY 24 CO -0.10 0.53 1.50 3.21 0.00 0.00 0.00 173.10 178.23 1gqn h ARG 25 N 5.37 0.00 -3.89 2.90 3.08 -1.92 -3.24 114.38 116.67 1gqn h ARG 25 Ca -0.27 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.59 1gqn h ARG 25 Cb 1.19 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.17 1gqn h ARG 25 CO 0.35 0.00 -0.13 0.16 -1.07 0.00 0.00 179.97 179.28 1gqn s ASP 26 N -5.87 0.57 0.21 7.04 3.84 -1.26 -0.99 116.67 120.21 1gqn s ASP 26 Ca 0.06 -1.32 -0.10 0.00 -0.00 0.00 0.00 52.55 51.18 1gqn s ASP 26 Cb 0.07 0.66 0.28 0.00 -1.38 0.00 0.00 42.92 42.55 1gqn s ASP 26 CO 0.69 -1.30 1.72 0.40 -0.00 0.00 0.00 175.17 176.67 1gqn h ILE 27 N 2.14 0.68 -0.60 2.11 1.08 -1.94 -0.06 117.51 120.93 1gqn h ILE 27 Ca -0.28 -0.10 -0.07 0.00 -0.39 0.00 0.00 64.86 64.01 1gqn h ILE 27 Cb 1.24 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 1gqn h ILE 27 CO 0.39 0.05 0.09 0.78 -0.69 0.00 0.00 178.15 178.77 1gqn h ASN 28 N 0.30 0.93 0.35 1.72 2.35 -1.99 -1.51 115.58 117.73 1gqn h ASN 28 Ca 0.31 -0.21 -0.17 0.00 -0.55 0.00 0.00 56.30 55.68 1gqn h ASN 28 Cb 0.43 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1gqn h ASN 28 CO -0.37 0.93 -0.69 0.77 -1.65 0.00 0.00 177.43 176.42 1gqn h SER 29 N 0.92 0.36 -0.65 5.81 4.64 -1.84 -1.29 113.55 121.48 1gqn h SER 29 Ca 0.18 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 1gqn h SER 29 Cb 0.41 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1gqn h SER 29 CO 0.01 0.94 0.25 0.58 -0.87 0.00 0.00 176.83 177.74 1gqn h VAL 30 N 0.21 1.24 -0.46 0.95 2.07 -0.77 -0.67 116.25 118.82 1gqn h VAL 30 Ca -0.02 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1gqn h VAL 30 Cb 1.25 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1gqn h VAL 30 CO 0.11 0.30 0.07 0.50 0.02 0.00 0.00 177.57 178.57 1gqn h LYS 31 N 0.92 0.76 -0.79 1.57 3.64 -1.14 -0.02 116.57 121.51 1gqn h LYS 31 Ca 0.22 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1gqn h LYS 31 Cb 0.23 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1gqn h LYS 31 CO -0.02 0.78 0.34 0.00 -2.27 0.00 0.00 179.45 178.29 1gqn h ALA 32 N 0.95 1.02 -0.38 5.00 0.00 -0.90 -1.87 119.26 123.07 1gqn h ALA 32 Ca 0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1gqn h ALA 32 Cb 0.40 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1gqn h ALA 32 CO 0.01 0.63 -0.07 0.93 0.00 0.00 0.00 179.25 180.75 1gqn h GLU 33 N 1.13 0.72 -0.83 0.00 4.39 -0.89 -2.39 114.58 116.71 1gqn h GLU 33 Ca 0.27 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1gqn h GLU 33 Cb 0.18 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1gqn h GLU 33 CO -0.03 0.85 0.55 0.00 -1.16 0.00 0.00 179.01 179.22 1gqn h ALA 34 N 0.84 1.45 -0.01 3.43 0.00 -0.76 0.33 119.26 124.54 1gqn h ALA 34 Ca 0.10 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1gqn h ALA 34 Cb 0.57 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1gqn h ALA 34 CO 0.03 0.50 -0.58 -0.07 0.00 0.00 0.00 179.25 179.13 1gqn h LEU 35 N 1.08 0.04 -0.10 0.00 3.38 -1.20 -2.29 115.31 116.22 1gqn h LEU 35 Ca 0.31 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.10 1gqn h LEU 35 Cb -0.06 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1gqn h LEU 35 CO -0.08 0.62 -0.57 0.00 0.09 0.00 0.00 178.44 178.50 1gqn h ALA 36 N 1.38 0.20 0.00 1.53 0.00 -0.80 -3.28 119.26 118.30 1gqn h ALA 36 Ca -0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1gqn h ALA 36 Cb 1.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1gqn h ALA 36 CO 0.08 0.44 -0.19 1.88 0.00 0.00 0.00 179.25 181.45 1gqn h TYR 37 N 0.17 0.00 0.00 0.00 -1.99 -0.27 -2.05 116.97 112.84 1gqn h TYR 37 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1gqn h TYR 37 Cb 1.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.95 1gqn h TYR 37 CO 0.11 0.19 0.00 2.89 -0.00 0.00 0.00 178.16 181.35 1gqn n ARG 38 N -3.64 0.50 -0.86 4.88 1.85 -0.87 -1.60 116.66 116.92 1gqn n ARG 38 Ca -0.01 0.03 -0.04 0.00 -1.00 0.00 0.00 57.85 56.83 1gqn n ARG 38 Cb 0.32 -1.50 0.26 0.00 -1.05 0.00 0.00 32.46 30.49 1gqn n ARG 38 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1gqn n GLU 39 N -1.07 3.00 -4.34 2.89 1.02 -0.77 -4.91 120.64 116.45 1gqn n GLU 39 Ca 0.13 -3.05 -0.20 0.00 -0.02 0.00 0.00 57.16 54.02 1gqn n GLU 39 Cb 0.08 -2.04 -0.10 0.00 -0.02 0.00 0.00 31.44 29.36 1gqn n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gqn s ALA 40 N -3.04 2.03 -0.28 0.62 0.00 -0.63 -5.13 121.76 115.34 1gqn s ALA 40 Ca 0.50 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 1gqn s ALA 40 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1gqn s ALA 40 CO 0.09 0.13 0.12 0.99 0.00 0.00 0.00 175.76 177.09 1gqn s THR 41 N -2.64 4.63 0.29 0.00 2.01 -1.26 -5.05 115.64 113.62 1gqn s THR 41 Ca 0.20 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.85 1gqn s THR 41 Cb -0.03 -3.24 0.02 0.00 0.01 0.00 0.00 72.50 69.27 1gqn s THR 41 CO 0.07 0.24 0.68 0.72 -0.69 0.00 0.00 174.62 175.63 1gqn s PHE 42 N 1.65 -0.01 -0.19 4.92 -0.12 -1.26 -4.86 117.98 118.11 1gqn s PHE 42 Ca 0.06 -0.46 0.15 0.00 -0.05 0.00 0.00 56.93 56.63 1gqn s PHE 42 Cb -0.16 0.61 -0.22 0.00 -0.63 0.00 0.00 43.02 42.62 1gqn s PHE 42 CO 0.06 -1.24 0.04 -0.25 -0.05 0.00 0.00 175.22 173.78 1gqn n ASP 43 N -0.60 0.58 -3.89 1.98 8.00 0.08 -4.98 116.55 117.72 1gqn n ASP 43 Ca -0.04 -0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.27 1gqn n ASP 43 Cb 0.60 0.83 -0.16 0.00 -0.02 0.00 0.00 41.12 42.37 1gqn n ASP 43 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1gqn s ILE 44 N -2.45 0.40 -0.25 0.53 1.01 -0.76 -4.29 121.20 115.38 1gqn s ILE 44 Ca -0.11 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 1gqn s ILE 44 Cb 0.06 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1gqn s ILE 44 CO 0.74 0.17 0.14 -0.22 0.00 0.00 0.00 174.94 175.77 1gqn s LEU 45 N 0.62 3.89 -0.20 2.97 2.96 -0.40 -1.93 118.68 126.59 1gqn s LEU 45 Ca -0.07 -0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 53.71 1gqn s LEU 45 Cb -0.11 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 1gqn s LEU 45 CO -0.00 0.01 0.19 -0.70 -1.32 0.00 0.00 176.35 174.53 1gqn s GLU 46 N 1.38 4.18 -0.31 1.98 2.12 0.78 -0.89 118.70 127.93 1gqn s GLU 46 Ca 0.07 -0.13 -0.13 0.00 0.36 0.00 0.00 54.97 55.14 1gqn s GLU 46 Cb -0.15 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 1gqn s GLU 46 CO 0.06 0.22 0.26 -0.46 -0.54 0.00 0.00 175.26 174.80 1gqn s TRP 47 N 0.57 3.22 -0.97 5.30 -0.00 0.83 -0.70 118.94 127.19 1gqn s TRP 47 Ca 0.11 -0.02 -0.21 0.00 -0.00 0.00 0.00 56.10 55.98 1gqn s TRP 47 Cb -0.12 -2.49 0.09 0.00 -0.00 0.00 0.00 33.47 30.96 1gqn s TRP 47 CO 0.01 -0.30 1.28 1.03 -0.00 0.00 0.00 176.95 178.98 1gqn s ARG 48 N 1.81 3.60 0.49 5.86 1.81 -0.26 -1.82 118.95 130.45 1gqn s ARG 48 Ca 0.08 -1.46 0.21 0.00 -1.72 0.00 0.00 55.73 52.84 1gqn s ARG 48 Cb -0.17 -5.13 1.27 0.00 -0.45 0.00 0.00 34.95 30.48 1gqn s ARG 48 CO 0.11 -1.98 2.05 0.28 -0.68 0.00 0.00 175.30 175.08 1gqn h VAL 49 N 6.28 0.84 0.00 3.52 2.07 -1.38 -2.68 116.25 124.91 1gqn h VAL 49 Ca 0.18 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1gqn h VAL 49 Cb 1.02 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1gqn h VAL 49 CO 1.26 0.13 0.00 -0.90 0.02 0.00 0.00 177.57 178.08 1gqn n ASP 50 N -4.00 0.00 0.03 0.57 5.68 -1.26 -1.25 116.55 116.31 1gqn n ASP 50 Ca -0.02 0.43 0.12 0.00 -0.50 0.00 0.00 54.79 54.82 1gqn n ASP 50 Cb 0.22 -0.46 0.16 0.00 -1.14 0.00 0.00 41.12 39.90 1gqn n ASP 50 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1gqn n HIS 51 N -1.46 0.28 -2.53 2.11 8.25 -1.01 -4.22 115.22 116.64 1gqn n HIS 51 Ca 0.03 0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 1gqn n HIS 51 Cb 0.12 -0.45 -0.03 0.00 1.12 0.00 0.00 29.99 30.75 1gqn n HIS 51 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1gqn s PHE 52 N -3.11 3.53 0.16 4.41 5.36 -0.38 -4.06 117.98 123.88 1gqn s PHE 52 Ca 0.07 1.46 -0.04 0.00 -0.96 0.00 0.00 56.93 57.46 1gqn s PHE 52 Cb 0.15 -3.31 0.01 0.00 -0.34 0.00 0.00 43.02 39.53 1gqn s PHE 52 CO 0.73 -0.80 1.40 0.52 -1.46 0.00 0.00 175.22 175.62 1gqn h MET 53 N 6.68 0.48 -2.16 10.12 2.86 -1.32 -3.34 114.93 128.24 1gqn h MET 53 Ca -0.42 -0.40 -0.62 0.00 -2.06 0.00 0.00 59.70 56.21 1gqn h MET 53 Cb 1.22 0.09 -0.18 0.00 0.06 0.00 0.00 31.60 32.78 1gqn h MET 53 CO 0.78 1.03 1.01 -3.47 1.06 0.00 0.00 176.91 177.32 1gqn n ASP 54 N -3.85 7.06 0.10 1.22 2.03 -1.26 -4.61 116.55 117.24 1gqn n ASP 54 Ca -0.05 -3.32 0.12 0.00 0.52 0.00 0.00 54.79 52.06 1gqn n ASP 54 Cb 0.72 -1.23 0.46 0.00 -0.72 0.00 0.00 41.12 40.34 1gqn n ASP 54 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1gqn n ILE 55 N 0.80 0.77 0.23 5.18 -5.35 -1.26 -2.49 119.36 117.25 1gqn n ILE 55 Ca 0.53 0.12 0.10 0.00 -0.27 0.00 0.00 62.75 63.23 1gqn n ILE 55 Cb 0.41 -0.99 0.53 0.00 -1.74 0.00 0.00 39.64 37.85 1gqn n ILE 55 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gqn h ALA 56 N 2.39 1.09 -2.54 -1.28 0.00 -1.94 -3.40 119.26 113.57 1gqn h ALA 56 Ca 0.00 -0.19 -0.72 0.00 0.00 0.00 0.00 54.91 54.00 1gqn h ALA 56 Cb 0.43 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 17.97 1gqn h ALA 56 CO 0.00 0.26 -0.44 0.45 0.00 0.00 0.00 179.25 179.52 1gqn s SER 57 N -6.19 6.05 0.28 0.00 0.15 -1.04 -4.96 113.70 107.99 1gqn s SER 57 Ca -0.01 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1gqn s SER 57 Cb 0.11 -2.14 0.51 0.00 -1.71 0.00 0.00 66.02 62.80 1gqn s SER 57 CO 0.62 -0.45 1.84 0.74 1.20 0.00 0.00 173.24 177.20 1gqn h THR 58 N 5.67 0.94 -0.76 6.45 2.02 -1.85 -0.99 112.91 124.39 1gqn h THR 58 Ca -0.27 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1gqn h THR 58 Cb 1.12 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1gqn h THR 58 CO 0.72 0.18 0.31 1.56 0.37 0.00 0.00 175.52 178.66 1gqn h GLN 59 N 1.00 1.14 -0.53 6.66 1.08 -1.94 -0.42 115.11 122.10 1gqn h GLN 59 Ca 0.48 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 1gqn h GLN 59 Cb 0.43 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 1gqn h GLN 59 CO -0.25 0.92 0.22 0.77 -0.95 0.00 0.00 178.83 179.54 1gqn h SER 60 N 1.11 0.72 -0.27 1.46 0.02 -1.51 -1.52 113.55 113.56 1gqn h SER 60 Ca 0.26 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1gqn h SER 60 Cb 0.21 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1gqn h SER 60 CO -0.02 0.68 0.14 0.58 -1.14 0.00 0.00 176.83 177.07 1gqn h VAL 61 N 0.71 1.13 0.00 2.27 2.07 -0.92 -1.26 116.25 120.25 1gqn h VAL 61 Ca 0.18 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1gqn h VAL 61 Cb 0.18 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1gqn h VAL 61 CO -0.02 0.13 -0.22 -0.07 0.02 0.00 0.00 177.57 177.42 1gqn h LEU 62 N 0.32 0.00 -0.29 2.57 3.38 -0.91 -1.25 115.31 119.13 1gqn h LEU 62 Ca 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1gqn h LEU 62 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1gqn h LEU 62 CO -0.01 0.22 -0.20 0.74 0.09 0.00 0.00 178.44 179.27 1gqn h THR 63 N 0.00 1.30 -0.46 0.22 2.02 -1.00 -1.38 112.91 113.61 1gqn h THR 63 Ca -0.00 -1.34 -0.08 0.00 0.77 0.00 0.00 66.41 65.76 1gqn h THR 63 Cb 0.43 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1gqn h THR 63 CO 0.03 0.43 -0.05 0.00 0.37 0.00 0.00 175.52 176.30 1gqn h ALA 64 N 0.73 1.05 -0.92 6.16 0.00 -0.63 -2.02 119.26 123.63 1gqn h ALA 64 Ca 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1gqn h ALA 64 Cb 0.75 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1gqn h ALA 64 CO 0.06 0.58 0.55 0.00 0.00 0.00 0.00 179.25 180.44 1gqn h ALA 65 N 1.22 1.23 -0.40 0.00 0.00 -1.09 -2.10 119.26 118.13 1gqn h ALA 65 Ca 0.13 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1gqn h ALA 65 Cb 0.51 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1gqn h ALA 65 CO 0.03 0.65 -0.10 -0.09 0.00 0.00 0.00 179.25 179.74 1gqn h ARG 66 N 1.27 0.70 -0.34 0.00 2.43 -0.74 -1.60 114.38 116.10 1gqn h ARG 66 Ca 0.33 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1gqn h ARG 66 Cb -0.04 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1gqn h ARG 66 CO -0.06 0.78 0.19 0.28 -1.51 0.00 0.00 179.97 179.65 1gqn h VAL 67 N 0.64 1.01 -0.26 0.20 2.07 -0.73 0.17 116.25 119.35 1gqn h VAL 67 Ca 0.11 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1gqn h VAL 67 Cb 0.54 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1gqn h VAL 67 CO 0.03 0.07 0.12 0.40 0.02 0.00 0.00 177.57 178.21 1gqn h ILE 68 N 0.38 1.15 -0.78 4.57 2.04 -1.21 -2.14 117.51 121.53 1gqn h ILE 68 Ca 0.14 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1gqn h ILE 68 Cb 0.03 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1gqn h ILE 68 CO -0.08 0.15 0.27 -0.09 0.00 0.00 0.00 178.15 178.41 1gqn h ARG 69 N 0.27 1.18 -0.10 2.37 9.65 -1.02 -1.00 114.38 125.74 1gqn h ARG 69 Ca 0.09 -0.24 -0.12 0.00 -1.10 0.00 0.00 59.98 58.61 1gqn h ARG 69 Cb 0.14 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 1gqn h ARG 69 CO -0.01 0.98 -0.49 -0.44 2.80 0.00 0.00 179.97 182.82 1gqn h ASP 70 N 1.14 0.28 0.68 -3.80 3.45 -0.54 -2.13 116.42 115.50 1gqn h ASP 70 Ca 0.25 -0.13 -0.10 0.00 0.43 0.00 0.00 57.03 57.48 1gqn h ASP 70 Cb 0.27 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 1gqn h ASP 70 CO -0.01 0.73 -0.47 0.00 -1.57 0.00 0.00 179.24 177.91 1gqn h ALA 71 N 1.28 1.04 -2.15 3.45 0.00 -0.88 -3.37 119.26 118.64 1gqn h ALA 71 Ca 0.01 -0.43 -0.56 0.00 0.00 0.00 0.00 54.91 53.93 1gqn h ALA 71 Cb 0.94 -0.08 -0.37 0.00 0.00 0.00 0.00 17.79 18.28 1gqn h ALA 71 CO 0.08 0.59 -1.00 -1.33 0.00 0.00 0.00 179.25 177.58 1gqn n MET 72 N -3.72 0.39 0.19 0.00 2.81 -0.43 -4.96 117.12 111.40 1gqn n MET 72 Ca -0.01 -3.13 0.06 0.00 -1.81 0.00 0.00 57.70 52.81 1gqn n MET 72 Cb 0.53 -1.50 0.53 0.00 -0.71 0.00 0.00 33.22 32.07 1gqn n MET 72 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1gqn h PRO 73 N 5.00 0.12 -0.61 0.03 0.13 -1.57 -3.07 132.00 132.03 1gqn h PRO 73 Ca 0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1gqn h PRO 73 Cb 0.91 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1gqn h PRO 73 CO 0.39 0.17 0.00 -0.25 -0.23 0.00 0.00 178.00 178.08 1gqn n ASP 74 N -4.42 3.68 -4.82 1.44 8.00 -1.26 -4.97 116.55 114.20 1gqn n ASP 74 Ca -0.02 -1.99 -0.38 0.00 0.71 0.00 0.00 54.79 53.11 1gqn n ASP 74 Cb 0.16 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 40.79 1gqn n ASP 74 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1gqn s ILE 75 N -1.05 4.82 0.17 0.53 1.10 -1.16 -4.81 121.20 120.80 1gqn s ILE 75 Ca 0.43 1.07 -0.32 0.00 -0.51 0.00 0.00 60.65 61.32 1gqn s ILE 75 Cb 0.22 -3.83 -0.11 0.00 0.15 0.00 0.00 42.46 38.90 1gqn s ILE 75 CO 0.30 0.50 1.63 -2.84 -2.11 0.00 0.00 174.94 172.42 1gqn s PRO 76 N -1.26 4.18 -0.17 3.50 0.02 -1.26 -4.89 135.00 135.12 1gqn s PRO 76 Ca 0.29 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.77 1gqn s PRO 76 Cb -0.18 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.19 1gqn s PRO 76 CO 0.18 -0.67 -0.17 -1.17 -0.33 0.00 0.00 177.00 174.85 1gqn s LEU 77 N 1.25 2.35 -0.24 -5.54 2.96 -1.26 -1.28 118.68 116.93 1gqn s LEU 77 Ca 0.72 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 54.01 1gqn s LEU 77 Cb -0.46 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1gqn s LEU 77 CO 0.32 0.04 0.08 -0.22 -1.32 0.00 0.00 176.35 175.25 1gqn s LEU 78 N 1.05 3.60 -0.34 -0.68 2.96 -0.07 -1.06 118.68 124.15 1gqn s LEU 78 Ca -0.01 -0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 53.61 1gqn s LEU 78 Cb -0.14 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1gqn s LEU 78 CO -0.05 0.02 0.50 0.12 -1.32 0.00 0.00 176.35 175.62 1gqn s PHE 79 N 1.31 3.19 -0.14 5.38 5.36 -0.22 -0.12 117.98 132.75 1gqn s PHE 79 Ca 0.05 0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1gqn s PHE 79 Cb -0.15 -2.88 0.03 0.00 -0.34 0.00 0.00 43.02 39.69 1gqn s PHE 79 CO 0.04 -0.49 -0.05 0.99 -1.46 0.00 0.00 175.22 174.24 1gqn s THR 80 N 2.36 0.99 -0.38 0.12 2.01 -0.75 -1.11 115.64 118.88 1gqn s THR 80 Ca 0.19 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 1gqn s THR 80 Cb -0.15 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.25 1gqn s THR 80 CO 0.13 0.22 0.25 0.12 -0.69 0.00 0.00 174.62 174.64 1gqn s PHE 81 N 1.70 3.24 -0.24 4.92 5.36 -1.26 -1.04 117.98 130.65 1gqn s PHE 81 Ca 0.03 -0.71 -0.19 0.00 -0.96 0.00 0.00 56.93 55.10 1gqn s PHE 81 Cb -0.14 -2.50 -0.03 0.00 -0.34 0.00 0.00 43.02 40.01 1gqn s PHE 81 CO -0.08 -0.59 0.54 0.50 -1.46 0.00 0.00 175.22 174.14 1gqn s ARG 82 N 1.63 4.11 0.70 10.12 6.06 -1.26 -4.91 118.95 135.40 1gqn s ARG 82 Ca 0.04 0.40 -0.14 0.00 -2.50 0.00 0.00 55.73 53.53 1gqn s ARG 82 Cb -0.19 -3.63 0.02 0.00 0.06 0.00 0.00 34.95 31.21 1gqn s ARG 82 CO 0.08 -0.32 1.11 -1.54 -2.50 0.00 0.00 175.30 172.13 1gqn s SER 83 N 1.43 4.90 0.35 -2.12 1.04 -1.26 -3.90 113.70 114.15 1gqn s SER 83 Ca 0.23 1.95 0.03 0.00 0.48 0.00 0.00 55.95 58.65 1gqn s SER 83 Cb -0.16 -2.54 0.65 0.00 0.10 0.00 0.00 66.02 64.07 1gqn s SER 83 CO 0.09 -1.77 1.97 0.00 0.98 0.00 0.00 173.24 174.51 1gqn h ALA 84 N -0.33 1.50 -0.27 5.32 0.00 -1.71 0.76 119.26 124.53 1gqn h ALA 84 Ca -0.46 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.44 1gqn h ALA 84 Cb 1.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1gqn h ALA 84 CO 0.53 0.41 0.21 0.87 0.00 0.00 0.00 179.25 181.27 1gqn h LYS 85 N 0.71 0.00 -0.58 0.00 6.56 -1.90 -1.70 116.57 119.66 1gqn h LYS 85 Ca 0.18 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.48 1gqn h LYS 85 Cb 0.05 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 31.54 1gqn h LYS 85 CO -0.03 0.00 0.18 0.39 -2.06 0.00 0.00 179.45 177.93 1gqn n GLU 86 N -4.31 2.07 -0.32 3.15 1.02 -0.44 -4.90 120.64 116.92 1gqn n GLU 86 Ca 0.04 -3.12 0.00 0.00 -0.02 0.00 0.00 57.16 54.06 1gqn n GLU 86 Cb 0.37 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1gqn n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gqn n GLY 87 N -1.08 0.69 3.59 0.62 0.00 -0.64 -4.85 105.19 103.53 1gqn n GLY 87 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 1gqn n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gqn s GLY 88 N -1.44 1.56 0.17 -0.02 0.00 0.25 -4.93 107.32 102.92 1gqn s GLY 88 Ca 0.00 -0.74 0.21 0.00 0.00 0.00 0.00 44.72 44.18 1gqn s GLY 88 CO 0.00 0.07 1.01 0.83 0.00 0.00 0.00 173.10 175.00 1gqn h GLU 89 N -2.45 0.00 -4.58 2.90 4.39 -1.78 -3.38 114.58 109.67 1gqn h GLU 89 Ca -0.49 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 58.95 1gqn h GLU 89 Cb 1.31 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.76 1gqn h GLU 89 CO 0.42 0.09 -0.73 -0.65 -1.16 0.00 0.00 179.01 176.98 1gqn s GLN 90 N -3.22 0.59 -0.11 2.33 -0.21 -1.26 -4.94 119.66 112.84 1gqn s GLN 90 Ca -0.01 -0.89 -0.05 0.00 0.02 0.00 0.00 55.36 54.44 1gqn s GLN 90 Cb 0.09 -0.27 -0.04 0.00 1.00 0.00 0.00 33.01 33.79 1gqn s GLN 90 CO 0.79 0.03 0.08 0.95 -2.12 0.00 0.00 175.29 175.02 1gqn s THR 91 N -1.88 4.97 0.09 -0.19 -4.23 -1.26 -2.96 115.64 110.17 1gqn s THR 91 Ca -0.05 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1gqn s THR 91 Cb -0.07 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1gqn s THR 91 CO -0.01 0.60 -0.04 0.27 -0.54 0.00 0.00 174.62 174.90 1gqn s ILE 92 N -0.83 0.52 0.69 2.99 -4.36 -1.26 -5.04 121.20 113.91 1gqn s ILE 92 Ca 0.13 -1.90 -0.12 0.00 -0.26 0.00 0.00 60.65 58.51 1gqn s ILE 92 Cb -0.12 -1.68 0.01 0.00 1.25 0.00 0.00 42.46 41.92 1gqn s ILE 92 CO 0.03 -0.86 1.07 0.42 0.24 0.00 0.00 174.94 175.83 1gqn s THR 93 N -3.74 3.86 0.32 8.37 -4.23 -1.26 -4.86 115.64 114.10 1gqn s THR 93 Ca 0.12 0.65 0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1gqn s THR 93 Cb 0.06 -3.31 0.28 0.00 1.34 0.00 0.00 72.50 70.87 1gqn s THR 93 CO -0.05 -0.75 1.95 0.74 -0.54 0.00 0.00 174.62 175.97 1gqn h THR 94 N -0.60 1.10 -0.48 3.99 2.02 -1.99 -1.62 112.91 115.34 1gqn h THR 94 Ca -0.44 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1gqn h THR 94 Cb 1.22 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1gqn h THR 94 CO 0.56 0.18 0.27 -0.61 0.37 0.00 0.00 175.52 176.29 1gqn h GLN 95 N 0.97 0.66 -0.62 6.66 4.15 -1.99 -1.67 115.11 123.26 1gqn h GLN 95 Ca 0.33 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.60 1gqn h GLN 95 Cb 0.10 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1gqn h GLN 95 CO -0.11 0.50 0.07 1.25 -1.93 0.00 0.00 178.83 178.61 1gqn h HIS 96 N 0.63 1.10 -0.34 3.99 2.76 -1.79 -0.35 115.15 121.15 1gqn h HIS 96 Ca 0.17 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1gqn h HIS 96 Cb 0.03 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 1gqn h HIS 96 CO -0.02 0.95 0.22 -0.92 -1.30 0.00 0.00 177.93 176.85 1gqn h TYR 97 N 0.96 0.43 -0.31 5.26 3.20 -1.14 0.33 116.97 125.70 1gqn h TYR 97 Ca 0.19 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 1gqn h TYR 97 Cb 0.46 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1gqn h TYR 97 CO 0.03 0.28 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.55 1gqn h LEU 98 N 0.45 0.57 -0.23 2.82 3.38 -1.08 -2.08 115.31 119.15 1gqn h LEU 98 Ca 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1gqn h LEU 98 Cb -0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1gqn h LEU 98 CO -0.03 0.79 0.11 0.74 0.09 0.00 0.00 178.44 180.14 1gqn h THR 99 N 0.51 1.13 -0.47 0.22 2.02 -0.37 -1.17 112.91 114.78 1gqn h THR 99 Ca 0.08 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1gqn h THR 99 Cb 0.65 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1gqn h THR 99 CO 0.05 0.13 0.27 -0.07 0.37 0.00 0.00 175.52 176.27 1gqn h LEU 100 N 0.24 0.43 -0.94 2.58 3.38 -0.76 0.10 115.31 120.34 1gqn h LEU 100 Ca 0.08 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1gqn h LEU 100 Cb 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1gqn h LEU 100 CO -0.01 0.31 0.18 0.78 0.09 0.00 0.00 178.44 179.79 1gqn h ASN 101 N 0.55 0.89 -0.45 -0.43 2.35 -1.23 -0.89 115.58 116.36 1gqn h ASN 101 Ca 0.19 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1gqn h ASN 101 Cb 0.03 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1gqn h ASN 101 CO -0.10 0.84 -0.07 0.03 -1.65 0.00 0.00 177.43 176.48 1gqn h ARG 102 N 0.92 0.84 -0.76 0.81 3.08 -0.57 -0.74 114.38 117.96 1gqn h ARG 102 Ca 0.20 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1gqn h ARG 102 Cb 0.28 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1gqn h ARG 102 CO -0.01 0.93 0.50 0.00 -1.07 0.00 0.00 179.97 180.33 1gqn h ALA 103 N 0.88 0.97 -0.64 0.04 0.00 -0.47 -0.26 119.26 119.78 1gqn h ALA 103 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1gqn h ALA 103 Cb 0.60 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1gqn h ALA 103 CO 0.04 0.36 0.37 0.00 0.00 0.00 0.00 179.25 180.03 1gqn h ALA 104 N 1.29 0.82 -0.38 0.00 0.00 -0.90 -0.93 119.26 119.15 1gqn h ALA 104 Ca 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1gqn h ALA 104 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1gqn h ALA 104 CO -0.07 0.31 0.23 0.82 0.00 0.00 0.00 179.25 180.53 1gqn h ILE 105 N 0.87 1.13 0.00 0.00 2.04 -0.57 -2.97 117.51 118.00 1gqn h ILE 105 Ca 0.23 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1gqn h ILE 105 Cb -0.00 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1gqn h ILE 105 CO -0.04 0.13 -0.39 0.44 0.00 0.00 0.00 178.15 178.29 1gqn h ASP 106 N 0.49 0.00 0.12 1.72 3.45 -0.76 -3.25 116.42 118.18 1gqn h ASP 106 Ca 0.14 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.57 1gqn h ASP 106 Cb 0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1gqn h ASP 106 CO -0.02 0.39 -0.10 0.77 -1.57 0.00 0.00 179.24 178.70 1gqn h SER 107 N 0.00 0.00 -0.03 6.45 4.64 -1.00 -3.46 113.55 120.15 1gqn h SER 107 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1gqn h SER 107 Cb 0.71 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1gqn h SER 107 CO 0.05 0.10 -0.01 0.61 -0.87 0.00 0.00 176.83 176.71 1gqn n GLY 108 N -1.20 0.45 0.11 -0.77 0.00 -1.23 -4.89 105.19 97.66 1gqn n GLY 108 Ca -0.03 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.96 1gqn n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gqn n LEU 109 N -0.07 0.85 -4.48 0.99 4.77 -1.26 -4.92 117.00 112.87 1gqn n LEU 109 Ca -0.01 0.34 -0.28 0.00 -0.03 0.00 0.00 56.01 56.03 1gqn n LEU 109 Cb 0.10 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 1gqn n LEU 109 CO 0.01 -0.14 -0.48 0.68 -1.33 0.00 0.00 177.39 176.12 1gqn s VAL 110 N -3.31 2.73 -0.12 4.08 -7.23 -1.26 -4.90 120.40 110.39 1gqn s VAL 110 Ca -0.01 -1.78 0.18 0.00 -1.81 0.00 0.00 61.98 58.57 1gqn s VAL 110 Cb 0.09 -2.31 -0.20 0.00 0.56 0.00 0.00 36.38 34.52 1gqn s VAL 110 CO 0.79 -0.05 0.57 0.47 -0.31 0.00 0.00 175.10 176.57 1gqn n ASP 111 N 0.34 0.50 -3.86 4.85 8.00 -0.22 -4.94 116.55 121.22 1gqn n ASP 111 Ca -0.13 0.22 -0.10 0.00 0.71 0.00 0.00 54.79 55.49 1gqn n ASP 111 Cb 0.55 0.69 -0.09 0.00 -0.02 0.00 0.00 41.12 42.25 1gqn n ASP 111 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1gqn s MET 112 N -2.92 0.65 0.09 -1.24 -1.94 -0.89 -1.97 119.30 111.08 1gqn s MET 112 Ca -0.06 -0.62 0.07 0.00 -1.71 0.00 0.00 55.69 53.38 1gqn s MET 112 Cb 0.09 0.27 -0.03 0.00 2.01 0.00 0.00 34.83 37.16 1gqn s MET 112 CO 0.83 -0.18 -0.18 0.96 -0.01 0.00 0.00 175.02 176.44 1gqn s ILE 113 N -2.42 1.48 -0.19 2.53 -4.36 -0.57 -1.05 121.20 116.62 1gqn s ILE 113 Ca -0.06 -1.46 -0.10 0.00 -0.26 0.00 0.00 60.65 58.77 1gqn s ILE 113 Cb -0.02 -1.37 -0.05 0.00 1.25 0.00 0.00 42.46 42.27 1gqn s ILE 113 CO -0.03 -0.13 0.15 -0.62 0.24 0.00 0.00 174.94 174.56 1gqn s ASP 114 N -1.85 6.26 -0.13 4.36 -1.08 -0.27 -0.44 116.67 123.52 1gqn s ASP 114 Ca 0.03 0.29 0.01 0.00 -0.52 0.00 0.00 52.55 52.36 1gqn s ASP 114 Cb -0.10 -2.10 0.02 0.00 -1.46 0.00 0.00 42.92 39.28 1gqn s ASP 114 CO 0.03 0.19 -0.13 -0.22 0.52 0.00 0.00 175.17 175.56 1gqn s LEU 115 N 0.26 1.60 -0.03 -1.34 2.96 -0.05 -4.66 118.68 117.43 1gqn s LEU 115 Ca 0.10 -0.43 -0.30 0.00 -0.22 0.00 0.00 54.13 53.28 1gqn s LEU 115 Cb -0.11 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 1gqn s LEU 115 CO -0.01 -0.04 1.24 -1.61 -1.32 0.00 0.00 176.35 174.61 1gqn s GLU 116 N 1.36 4.35 0.24 1.98 2.02 -1.26 -0.64 118.70 126.74 1gqn s GLU 116 Ca 0.01 1.74 -0.05 0.00 0.02 0.00 0.00 54.97 56.69 1gqn s GLU 116 Cb -0.13 -3.53 0.42 0.00 0.10 0.00 0.00 34.13 30.98 1gqn s GLU 116 CO -0.07 -0.44 1.74 1.25 0.02 0.00 0.00 175.26 177.75 1gqn h LEU 117 N 8.02 0.30 -0.12 1.80 5.85 -1.21 -1.60 115.31 128.36 1gqn h LEU 117 Ca -0.36 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1gqn h LEU 117 Cb 1.17 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1gqn h LEU 117 CO 0.87 0.13 0.00 0.49 -0.34 0.00 0.00 178.44 179.60 1gqn n PHE 118 N -4.98 0.00 0.03 1.25 0.99 -1.26 -3.12 117.46 110.37 1gqn n PHE 118 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 1gqn n PHE 118 Cb 0.38 -0.01 0.32 0.00 -1.00 0.00 0.00 39.48 39.17 1gqn n PHE 118 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1gqn h THR 119 N 0.00 1.20 0.00 4.37 2.02 -1.68 -3.47 112.91 115.34 1gqn h THR 119 Ca 0.00 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1gqn h THR 119 Cb 0.03 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1gqn h THR 119 CO 0.00 0.27 0.00 0.61 0.37 0.00 0.00 175.52 176.77 1gqn n GLY 120 N -0.84 4.23 0.32 2.16 0.00 -1.18 -4.91 105.19 104.97 1gqn n GLY 120 Ca 0.01 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.24 1gqn n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1gqn h ASP 121 N 0.00 0.71 -0.25 1.61 3.32 -1.92 0.11 116.42 119.99 1gqn h ASP 121 Ca 0.00 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1gqn h ASP 121 Cb 0.00 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1gqn h ASP 121 CO 0.00 0.38 -0.04 0.00 -1.72 0.00 0.00 179.24 177.86 1gqn h ALA 122 N 1.49 0.35 -0.57 3.45 0.00 -1.98 -0.90 119.26 121.09 1gqn h ALA 122 Ca 0.43 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1gqn h ALA 122 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1gqn h ALA 122 CO -0.27 0.12 -0.02 -0.44 0.00 0.00 0.00 179.25 178.64 1gqn h ASP 123 N 0.23 1.00 0.01 0.00 3.32 -1.87 -1.28 116.42 117.82 1gqn h ASP 123 Ca 0.07 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1gqn h ASP 123 Cb 0.49 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1gqn h ASP 123 CO 0.02 1.06 -0.01 0.58 -1.72 0.00 0.00 179.24 179.17 1gqn h VAL 124 N 0.92 1.05 -0.51 -1.35 2.07 -0.69 -1.88 116.25 115.86 1gqn h VAL 124 Ca 0.16 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1gqn h VAL 124 Cb 0.57 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1gqn h VAL 124 CO 0.03 0.05 0.30 0.50 0.02 0.00 0.00 177.57 178.47 1gqn h LYS 125 N -0.10 0.69 -0.32 1.57 3.64 -1.05 -0.33 116.57 120.67 1gqn h LYS 125 Ca -0.00 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1gqn h LYS 125 Cb 0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1gqn h LYS 125 CO 0.00 0.49 0.06 0.00 -2.27 0.00 0.00 179.45 177.74 1gqn h ALA 126 N 1.63 0.43 -0.51 5.00 0.00 -0.94 -1.55 119.26 123.31 1gqn h ALA 126 Ca 0.19 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1gqn h ALA 126 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1gqn h ALA 126 CO -0.03 0.12 0.07 1.15 0.00 0.00 0.00 179.25 180.55 1gqn h THR 127 N 0.37 1.25 -0.79 0.00 2.02 -0.98 -0.39 112.91 114.39 1gqn h THR 127 Ca 0.10 -0.97 0.05 0.00 0.77 0.00 0.00 66.41 66.36 1gqn h THR 127 Cb 0.34 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 1gqn h THR 127 CO 0.01 0.35 0.49 0.58 0.37 0.00 0.00 175.52 177.31 1gqn h VAL 128 N 0.74 1.04 -0.49 3.16 2.07 -0.98 0.26 116.25 122.05 1gqn h VAL 128 Ca 0.15 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1gqn h VAL 128 Cb 0.42 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1gqn h VAL 128 CO 0.01 0.16 -0.01 0.44 0.02 0.00 0.00 177.57 178.20 1gqn h ASP 129 N 0.90 0.86 -0.49 0.57 3.32 -0.88 -1.73 116.42 118.96 1gqn h ASP 129 Ca 0.34 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1gqn h ASP 129 Cb 0.14 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1gqn h ASP 129 CO -0.16 0.96 0.21 0.22 -1.72 0.00 0.00 179.24 178.75 1gqn h TYR 130 N 0.73 0.74 -0.41 4.55 3.20 -0.25 -2.19 116.97 123.34 1gqn h TYR 130 Ca 0.14 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1gqn h TYR 130 Cb 0.53 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1gqn h TYR 130 CO 0.04 0.61 0.19 0.00 -1.64 0.00 0.00 178.16 177.36 1gqn h ALA 131 N 1.05 0.51 -0.94 1.82 0.00 -0.33 -2.88 119.26 118.49 1gqn h ALA 131 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1gqn h ALA 131 Cb 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1gqn h ALA 131 CO -0.02 -0.17 0.59 0.45 0.00 0.00 0.00 179.25 180.10 1gqn h HIS 132 N 0.39 1.22 0.00 0.00 3.86 -1.16 0.22 115.15 119.69 1gqn h HIS 132 Ca 0.18 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1gqn h HIS 132 Cb 0.11 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.17 1gqn h HIS 132 CO -0.11 0.80 0.00 0.00 0.86 0.00 0.00 177.93 179.47 1gqn h ALA 133 N 1.36 1.00 -0.22 2.45 0.00 -1.19 -2.29 119.26 120.36 1gqn h ALA 133 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1gqn h ALA 133 Cb -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1gqn h ALA 133 CO -0.07 0.00 -0.00 0.72 0.00 0.00 0.00 179.25 179.90 1gqn n HIS 134 N -3.03 0.79 -3.83 0.00 8.25 -0.07 -4.98 115.22 112.35 1gqn n HIS 134 Ca -0.01 -0.95 -0.28 0.00 -0.26 0.00 0.00 57.72 56.22 1gqn n HIS 134 Cb 0.19 -0.30 0.04 0.00 1.12 0.00 0.00 29.99 31.04 1gqn n HIS 134 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1gqn n ASN 135 N -0.72 -5.00 -4.48 0.41 4.13 -0.80 -5.00 115.26 103.81 1gqn n ASN 135 Ca 0.21 -0.72 -0.33 0.00 1.68 0.00 0.00 54.58 55.42 1gqn n ASN 135 Cb 0.86 -4.18 -0.13 0.00 -1.54 0.00 0.00 39.78 34.79 1gqn n ASN 135 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1gqn s VAL 136 N -3.32 3.40 0.43 2.41 1.01 -0.38 -4.99 120.40 118.96 1gqn s VAL 136 Ca 0.61 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1gqn s VAL 136 Cb -0.30 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1gqn s VAL 136 CO 0.81 0.56 0.74 -0.31 0.00 0.00 0.00 175.10 176.89 1gqn s TYR 137 N -0.24 3.52 -0.13 5.22 1.51 -0.83 -3.72 117.35 122.68 1gqn s TYR 137 Ca 0.02 0.82 0.03 0.00 -1.01 0.00 0.00 57.07 56.93 1gqn s TYR 137 Cb -0.13 -2.28 0.01 0.00 -0.11 0.00 0.00 41.96 39.44 1gqn s TYR 137 CO 0.03 -0.15 -0.22 0.08 -1.11 0.00 0.00 175.55 174.18 1gqn s VAL 138 N -2.53 2.00 -0.36 0.71 1.01 -1.26 -1.52 120.40 118.45 1gqn s VAL 138 Ca 0.47 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 1gqn s VAL 138 Cb -0.10 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 1gqn s VAL 138 CO 0.39 0.54 0.40 -0.69 0.00 0.00 0.00 175.10 175.74 1gqn s VAL 139 N 0.74 5.12 -0.20 2.92 1.01 0.41 -1.54 120.40 128.87 1gqn s VAL 139 Ca -0.09 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1gqn s VAL 139 Cb -0.16 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1gqn s VAL 139 CO 0.00 -0.20 0.26 -0.32 0.00 0.00 0.00 175.10 174.84 1gqn s MET 140 N 2.11 4.16 0.31 2.72 1.75 -0.66 -0.87 119.30 128.81 1gqn s MET 140 Ca 0.13 -0.03 0.03 0.00 -1.25 0.00 0.00 55.69 54.58 1gqn s MET 140 Cb -0.16 -3.50 -0.06 0.00 2.84 0.00 0.00 34.83 33.95 1gqn s MET 140 CO 0.12 0.10 0.05 -1.54 -0.65 0.00 0.00 175.02 173.11 1gqn s SER 141 N 0.82 2.16 -0.21 1.11 1.04 0.19 -0.51 113.70 118.30 1gqn s SER 141 Ca 0.13 -1.36 -0.18 0.00 0.48 0.00 0.00 55.95 55.03 1gqn s SER 141 Cb -0.13 -0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.00 1gqn s SER 141 CO 0.05 -0.61 0.55 0.21 0.98 0.00 0.00 173.24 174.42 1gqn s ASN 142 N -3.44 -0.61 -0.03 7.02 3.84 -0.78 -0.63 114.94 120.31 1gqn s ASN 142 Ca 0.36 1.13 0.01 0.00 0.21 0.00 0.00 52.86 54.57 1gqn s ASN 142 Cb 0.08 1.11 0.02 0.00 -0.55 0.00 0.00 41.25 41.91 1gqn s ASN 142 CO 0.15 -0.20 -0.05 -1.00 -2.79 0.00 0.00 177.10 173.21 1gqn s HIS 143 N 0.57 0.65 -0.33 0.43 3.76 -1.26 -1.48 115.29 117.63 1gqn s HIS 143 Ca -0.02 -0.15 0.03 0.00 -0.15 0.00 0.00 55.06 54.77 1gqn s HIS 143 Cb -0.05 -0.55 0.10 0.00 1.11 0.00 0.00 32.58 33.19 1gqn s HIS 143 CO -0.03 -0.13 0.05 0.34 -0.85 0.00 0.00 174.74 174.12 1gqn s ASP 144 N 0.63 4.64 0.00 1.40 -1.08 -0.05 -4.83 116.67 117.38 1gqn s ASP 144 Ca -0.08 -2.06 0.29 0.00 -0.52 0.00 0.00 52.55 50.19 1gqn s ASP 144 Cb -0.11 -1.51 1.67 0.00 -1.46 0.00 0.00 42.92 41.51 1gqn s ASP 144 CO -0.00 -0.38 2.06 0.49 0.52 0.00 0.00 175.17 177.86 1gqn n PHE 145 N 4.35 0.00 -0.07 -5.34 3.01 -1.26 -0.99 117.46 117.16 1gqn n PHE 145 Ca 0.03 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.39 1gqn n PHE 145 Cb 0.42 -0.08 -0.08 0.00 -0.01 0.00 0.00 39.48 39.73 1gqn n PHE 145 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1gqn n HIS 146 N -1.08 0.00 -3.86 1.38 8.25 -1.26 -4.75 115.22 113.90 1gqn n HIS 146 Ca 0.20 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.57 1gqn n HIS 146 Cb 0.14 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 30.64 1gqn n HIS 146 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1gqn s GLN 147 N -2.31 2.05 -0.25 -0.41 -2.07 -1.25 -4.87 119.66 110.55 1gqn s GLN 147 Ca -0.16 -1.35 -0.04 0.00 -1.82 0.00 0.00 55.36 51.99 1gqn s GLN 147 Cb 0.05 0.59 0.01 0.00 -1.09 0.00 0.00 33.01 32.57 1gqn s GLN 147 CO 0.41 -0.94 -0.00 0.99 -1.32 0.00 0.00 175.29 174.43 1gqn s THR 148 N -2.90 3.46 1.14 3.63 2.01 -0.92 -3.07 115.64 119.00 1gqn s THR 148 Ca 0.16 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 1gqn s THR 148 Cb -0.05 -2.69 0.27 0.00 0.01 0.00 0.00 72.50 70.04 1gqn s THR 148 CO 0.11 0.25 1.04 -2.84 -0.69 0.00 0.00 174.62 172.49 1gqn s PRO 149 N 1.45 -0.71 0.86 4.92 0.02 -1.26 -4.99 135.00 135.28 1gqn s PRO 149 Ca 0.03 0.70 -0.11 0.00 0.02 0.00 0.00 61.00 61.64 1gqn s PRO 149 Cb -0.16 -1.59 0.11 0.00 0.02 0.00 0.00 34.50 32.88 1gqn s PRO 149 CO -0.02 -3.55 1.09 -1.54 -0.33 0.00 0.00 177.00 172.66 1gqn s SER 150 N -2.77 3.81 0.23 2.53 1.04 -1.26 -4.80 113.70 112.49 1gqn s SER 150 Ca 0.68 1.59 -0.07 0.00 0.48 0.00 0.00 55.95 58.63 1gqn s SER 150 Cb -0.23 -2.28 0.22 0.00 0.10 0.00 0.00 66.02 63.83 1gqn s SER 150 CO 0.63 -2.44 1.89 0.00 0.98 0.00 0.00 173.24 174.30 1gqn h ALA 151 N -1.41 1.16 -0.80 5.32 0.00 -1.94 -1.37 119.26 120.21 1gqn h ALA 151 Ca -0.48 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.35 1gqn h ALA 151 Cb 1.27 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1gqn h ALA 151 CO 0.54 0.60 0.53 1.49 0.00 0.00 0.00 179.25 182.40 1gqn h GLU 152 N 1.25 1.06 -0.46 0.00 4.81 -1.96 -0.79 114.58 118.50 1gqn h GLU 152 Ca 0.33 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1gqn h GLU 152 Cb -0.08 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.04 1gqn h GLU 152 CO -0.06 0.71 0.18 0.93 -0.73 0.00 0.00 179.01 180.04 1gqn h GLU 153 N 1.09 0.68 -0.32 1.92 5.08 -1.77 -0.32 114.58 120.94 1gqn h GLU 153 Ca 0.29 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1gqn h GLU 153 Cb -0.12 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1gqn h GLU 153 CO -0.06 0.62 0.04 0.52 -1.00 0.00 0.00 179.01 179.13 1gqn h MET 154 N 0.60 0.54 -0.63 2.33 2.86 -0.94 -0.94 114.93 118.75 1gqn h MET 154 Ca 0.15 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1gqn h MET 154 Cb 0.19 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1gqn h MET 154 CO -0.01 0.64 0.37 0.28 1.06 0.00 0.00 176.91 179.25 1gqn h VAL 155 N 0.37 1.19 -0.04 -2.22 2.07 -0.99 -0.59 116.25 116.04 1gqn h VAL 155 Ca 0.10 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1gqn h VAL 155 Cb 0.37 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1gqn h VAL 155 CO 0.01 0.20 -0.32 0.28 0.02 0.00 0.00 177.57 177.76 1gqn h SER 156 N 0.86 0.08 -0.32 0.57 0.02 -0.87 0.56 113.55 114.43 1gqn h SER 156 Ca 0.23 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1gqn h SER 156 Cb -0.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1gqn h SER 156 CO -0.04 0.40 -0.11 -0.09 -1.14 0.00 0.00 176.83 175.85 1gqn h ARG 157 N 0.07 0.65 -0.86 3.45 2.43 -0.56 -1.68 114.38 117.88 1gqn h ARG 157 Ca 0.01 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.90 1gqn h ARG 157 Cb 0.61 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1gqn h ARG 157 CO 0.04 0.84 0.46 -0.07 -1.51 0.00 0.00 179.97 179.73 1gqn h LEU 158 N 0.42 1.09 -1.07 3.80 3.38 -0.79 -1.28 115.31 120.86 1gqn h LEU 158 Ca 0.08 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1gqn h LEU 158 Cb 0.62 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1gqn h LEU 158 CO 0.04 0.89 -0.02 0.03 0.09 0.00 0.00 178.44 179.46 1gqn h ARG 159 N 1.21 0.63 -0.41 1.13 3.08 -0.76 -1.79 114.38 117.47 1gqn h ARG 159 Ca 0.30 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1gqn h ARG 159 Cb 0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1gqn h ARG 159 CO -0.05 0.67 0.12 -0.22 -1.07 0.00 0.00 179.97 179.43 1gqn h LYS 160 N 0.59 0.63 -0.84 0.04 1.63 -0.79 -0.54 116.57 117.29 1gqn h LYS 160 Ca 0.12 -0.14 0.03 0.00 -0.85 0.00 0.00 60.65 59.81 1gqn h LYS 160 Cb 0.41 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.90 1gqn h LYS 160 CO 0.02 0.63 0.55 0.52 -3.45 0.00 0.00 179.45 177.71 1gqn h MET 161 N 0.51 1.04 -0.71 1.90 2.86 -0.70 -0.73 114.93 119.11 1gqn h MET 161 Ca 0.13 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1gqn h MET 161 Cb 0.26 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1gqn h MET 161 CO -0.00 0.69 0.23 1.96 1.06 0.00 0.00 176.91 180.85 1gqn h GLN 162 N 1.07 1.09 -0.19 1.72 4.20 -0.92 -1.19 115.11 120.89 1gqn h GLN 162 Ca 0.33 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 1gqn h GLN 162 Cb -0.02 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1gqn h GLN 162 CO -0.11 0.92 -0.21 0.00 -0.67 0.00 0.00 178.83 178.76 1gqn h ALA 163 N 1.20 1.29 -0.01 3.87 0.00 -0.12 -2.46 119.26 123.03 1gqn h ALA 163 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1gqn h ALA 163 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1gqn h ALA 163 CO -0.01 0.48 0.00 1.28 0.00 0.00 0.00 179.25 181.00 1gqn n LEU 164 N -4.17 0.17 0.00 0.00 4.77 -0.38 -4.89 117.00 112.50 1gqn n LEU 164 Ca -0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1gqn n LEU 164 Cb 0.35 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1gqn n LEU 164 CO 0.40 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1gqn n GLY 165 N 0.93 0.80 3.65 -0.72 0.00 -0.93 -4.70 105.19 104.23 1gqn n GLY 165 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1gqn n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqn n ALA 166 N -1.24 0.65 0.03 4.61 0.00 -0.50 -4.87 120.51 119.19 1gqn n ALA 166 Ca 0.00 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.63 1gqn n ALA 166 Cb 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.18 1gqn n ALA 166 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1gqn h ASP 167 N 2.74 0.90 -2.88 0.00 3.32 -1.63 -3.43 116.42 115.45 1gqn h ASP 167 Ca -0.44 -0.73 -0.51 0.00 0.02 0.00 0.00 57.03 55.37 1gqn h ASP 167 Cb 1.30 -0.28 -0.40 0.00 0.22 0.00 0.00 39.33 40.17 1gqn h ASP 167 CO 0.65 1.52 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.28 1gqn s ILE 168 N -3.35 -0.06 0.41 0.35 1.01 -0.81 -4.26 121.20 114.50 1gqn s ILE 168 Ca -0.10 -0.58 -0.25 0.00 0.00 0.00 0.00 60.65 59.72 1gqn s ILE 168 Cb 0.07 -0.86 -0.08 0.00 0.01 0.00 0.00 42.46 41.59 1gqn s ILE 168 CO 0.92 -0.58 1.19 -2.84 0.00 0.00 0.00 174.94 173.63 1gqn s PRO 169 N 2.10 3.99 -0.01 2.79 0.02 -1.25 -1.66 135.00 140.99 1gqn s PRO 169 Ca 0.07 1.89 -0.00 0.00 0.02 0.00 0.00 61.00 62.98 1gqn s PRO 169 Cb -0.16 -2.65 0.01 0.00 0.02 0.00 0.00 34.50 31.72 1gqn s PRO 169 CO -0.28 -0.39 0.02 0.21 -0.33 0.00 0.00 177.00 176.23 1gqn s LYS 170 N -2.34 -0.01 0.01 5.54 2.20 0.33 -1.04 119.74 124.42 1gqn s LYS 170 Ca 0.58 0.08 0.01 0.00 -0.36 0.00 0.00 55.97 56.28 1gqn s LYS 170 Cb -0.32 -0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 35.90 1gqn s LYS 170 CO 0.40 -0.07 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.79 1gqn s ILE 171 N 0.44 0.25 -0.05 5.43 2.07 -0.36 -1.86 121.20 127.12 1gqn s ILE 171 Ca -0.04 -0.32 0.01 0.00 -1.41 0.00 0.00 60.65 58.89 1gqn s ILE 171 Cb -0.05 -0.25 0.02 0.00 0.13 0.00 0.00 42.46 42.31 1gqn s ILE 171 CO -0.01 -0.05 -0.03 0.00 -1.91 0.00 0.00 174.94 172.94 1gqn s ALA 172 N -0.37 0.61 0.09 1.50 0.00 -0.55 -1.73 121.76 121.32 1gqn s ALA 172 Ca -0.02 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1gqn s ALA 172 Cb -0.03 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1gqn s ALA 172 CO -0.00 -0.10 -0.08 0.14 0.00 0.00 0.00 175.76 175.72 1gqn s VAL 173 N 1.10 0.81 -0.23 0.00 -7.23 -0.37 -0.87 120.40 113.62 1gqn s VAL 173 Ca -0.08 -1.70 -0.13 0.00 -1.81 0.00 0.00 61.98 58.25 1gqn s VAL 173 Cb -0.14 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 1gqn s VAL 173 CO -0.01 -0.67 0.28 -0.32 -0.31 0.00 0.00 175.10 174.08 1gqn s MET 174 N -3.08 4.11 0.28 4.82 -2.45 -0.16 -0.46 119.30 122.36 1gqn s MET 174 Ca 0.06 -0.03 -0.29 0.00 -1.25 0.00 0.00 55.69 54.18 1gqn s MET 174 Cb -0.00 -3.55 -0.09 0.00 1.25 0.00 0.00 34.83 32.43 1gqn s MET 174 CO -0.02 -0.01 1.01 -1.25 1.05 0.00 0.00 175.02 175.80 1gqn s PRO 175 N 1.26 4.67 0.00 4.11 0.04 -1.26 -2.16 135.00 141.67 1gqn s PRO 175 Ca 0.13 1.58 0.15 0.00 0.04 0.00 0.00 61.00 62.89 1gqn s PRO 175 Cb -0.14 -3.10 -0.15 0.00 0.04 0.00 0.00 34.50 31.15 1gqn s PRO 175 CO 0.07 0.31 0.64 1.04 0.04 0.00 0.00 177.00 179.10 1gqn n GLN 176 N 1.09 2.11 -3.88 4.56 6.02 -1.26 -4.97 117.38 121.06 1gqn n GLN 176 Ca -0.00 -0.06 -0.09 0.00 -0.01 0.00 0.00 57.00 56.84 1gqn n GLN 176 Cb 0.47 -1.20 -0.01 0.00 1.02 0.00 0.00 30.24 30.52 1gqn n GLN 176 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1gqn s SER 177 N -2.34 -0.04 0.36 1.08 1.04 -1.26 -5.02 113.70 107.51 1gqn s SER 177 Ca 0.06 -0.92 0.17 0.00 0.48 0.00 0.00 55.95 55.74 1gqn s SER 177 Cb 0.11 0.75 0.65 0.00 0.10 0.00 0.00 66.02 67.63 1gqn s SER 177 CO 0.59 -1.45 1.73 0.11 0.98 0.00 0.00 173.24 175.20 1gqn h LYS 178 N 2.04 0.00 -0.71 4.02 1.57 -1.95 -2.71 116.57 118.84 1gqn h LYS 178 Ca -0.26 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1gqn h LYS 178 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1gqn h LYS 178 CO 0.32 0.41 0.46 0.45 -0.57 0.00 0.00 179.45 180.53 1gqn h HIS 179 N 0.00 0.89 -0.09 -1.35 3.86 -2.00 -1.51 115.15 114.96 1gqn h HIS 179 Ca -0.00 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1gqn h HIS 179 Cb 0.89 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 1gqn h HIS 179 CO 0.00 0.57 -0.13 -0.44 0.86 0.00 0.00 177.93 178.79 1gqn h ASP 180 N 0.96 0.12 -0.31 2.45 3.32 -1.88 -1.61 116.42 119.47 1gqn h ASP 180 Ca 0.26 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1gqn h ASP 180 Cb -0.10 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1gqn h ASP 180 CO -0.05 0.27 -0.05 0.58 -1.72 0.00 0.00 179.24 178.27 1gqn h VAL 181 N 0.13 1.27 -0.53 -1.35 2.07 -1.34 -2.14 116.25 114.35 1gqn h VAL 181 Ca 0.03 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1gqn h VAL 181 Cb 0.31 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1gqn h VAL 181 CO 0.02 0.34 0.26 -0.07 0.02 0.00 0.00 177.57 178.14 1gqn h LEU 182 N 0.37 0.67 -0.74 2.57 3.38 -1.10 -1.69 115.31 118.77 1gqn h LEU 182 Ca 0.08 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1gqn h LEU 182 Cb 0.53 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1gqn h LEU 182 CO 0.03 0.57 0.36 0.74 0.09 0.00 0.00 178.44 180.23 1gqn h THR 183 N 0.75 1.24 -0.33 0.22 2.02 -0.99 0.96 112.91 116.78 1gqn h THR 183 Ca 0.19 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 1gqn h THR 183 Cb 0.08 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1gqn h THR 183 CO -0.03 0.28 0.05 0.25 0.37 0.00 0.00 175.52 176.44 1gqn h LEU 184 N 1.04 0.52 -1.19 2.58 7.12 -0.92 -0.67 115.31 123.79 1gqn h LEU 184 Ca 0.25 -0.27 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 1gqn h LEU 184 Cb 0.12 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.08 1gqn h LEU 184 CO -0.03 0.65 0.24 -0.07 -0.13 0.00 0.00 178.44 179.10 1gqn h LEU 185 N 0.37 0.73 -0.40 2.25 3.38 -0.99 -0.83 115.31 119.82 1gqn h LEU 185 Ca 0.10 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1gqn h LEU 185 Cb 0.36 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1gqn h LEU 185 CO 0.01 0.64 0.12 0.74 0.09 0.00 0.00 178.44 180.04 1gqn h THR 186 N 0.80 1.22 -0.40 0.22 2.02 -0.56 -1.29 112.91 114.92 1gqn h THR 186 Ca 0.19 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 1gqn h THR 186 Cb 0.13 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1gqn h THR 186 CO -0.02 0.26 -0.01 0.00 0.37 0.00 0.00 175.52 176.11 1gqn h ALA 187 N 0.96 1.23 -0.19 6.16 0.00 -0.73 0.51 119.26 127.21 1gqn h ALA 187 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1gqn h ALA 187 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1gqn h ALA 187 CO -0.00 0.51 0.09 1.15 0.00 0.00 0.00 179.25 181.00 1gqn h THR 188 N 0.61 1.13 -0.66 0.00 2.02 -0.84 -2.08 112.91 113.09 1gqn h THR 188 Ca 0.12 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1gqn h THR 188 Cb 0.40 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1gqn h THR 188 CO 0.02 0.12 0.17 0.25 0.37 0.00 0.00 175.52 176.45 1gqn h LEU 189 N 0.18 1.00 -0.50 2.58 5.85 -0.91 -0.53 115.31 122.98 1gqn h LEU 189 Ca 0.07 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1gqn h LEU 189 Cb 0.11 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1gqn h LEU 189 CO -0.01 0.96 0.32 -0.08 -0.34 0.00 0.00 178.44 179.29 1gqn h GLU 190 N 0.98 0.62 -0.07 1.25 4.57 -0.76 0.02 114.58 121.19 1gqn h GLU 190 Ca 0.21 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1gqn h GLU 190 Cb 0.35 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1gqn h GLU 190 CO 0.00 0.41 0.05 0.52 -1.18 0.00 0.00 179.01 178.81 1gqn h MET 191 N 0.64 0.10 -0.14 1.92 2.86 -1.16 0.54 114.93 119.68 1gqn h MET 191 Ca 0.19 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.86 1gqn h MET 191 Cb -0.04 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1gqn h MET 191 CO -0.06 0.07 -0.08 0.37 1.06 0.00 0.00 176.91 178.27 1gqn h GLN 192 N 0.10 -0.07 -0.18 1.72 4.15 -0.64 0.61 115.11 120.80 1gqn h GLN 192 Ca 0.03 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.24 1gqn h GLN 192 Cb -0.01 0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.70 1gqn h GLN 192 CO -0.01 -0.05 -0.70 1.96 -1.93 0.00 0.00 178.83 178.10 1gqn h GLN 193 N -0.07 0.76 0.00 1.69 1.08 -0.92 -3.42 115.11 114.23 1gqn h GLN 193 Ca 0.08 -0.57 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1gqn h GLN 193 Cb 0.20 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1gqn h GLN 193 CO -0.19 1.19 -0.83 0.72 -0.95 0.00 0.00 178.83 178.77 1gqn n HIS 194 N -3.94 0.00 0.00 2.96 8.25 0.17 -4.93 115.22 117.73 1gqn n HIS 194 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1gqn n HIS 194 Cb 0.71 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1gqn n HIS 194 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1gqn n TYR 195 N -1.43 0.00 -2.75 4.41 4.02 -0.58 -5.05 117.16 115.79 1gqn n TYR 195 Ca -0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1gqn n TYR 195 Cb 0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.30 1gqn n TYR 195 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gqn s ALA 196 N -1.16 3.27 -0.10 -0.72 0.00 0.10 -4.90 121.76 118.25 1gqn s ALA 196 Ca 0.00 0.56 0.15 0.00 0.00 0.00 0.00 51.96 52.67 1gqn s ALA 196 Cb 0.00 -3.25 0.23 0.00 0.00 0.00 0.00 23.12 20.09 1gqn s ALA 196 CO 0.00 0.01 1.12 -0.40 0.00 0.00 0.00 175.76 176.49 1gqn n ASP 197 N 2.60 1.83 -3.78 0.00 5.68 -1.26 -4.63 116.55 116.99 1gqn n ASP 197 Ca 0.01 -2.85 -0.08 0.00 -0.50 0.00 0.00 54.79 51.38 1gqn n ASP 197 Cb 0.49 -0.38 -0.02 0.00 -1.14 0.00 0.00 41.12 40.07 1gqn n ASP 197 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gqn s ARG 198 N -2.24 1.66 0.51 0.11 1.70 -1.26 -1.27 118.95 118.16 1gqn s ARG 198 Ca 0.25 -0.90 -0.22 0.00 -0.47 0.00 0.00 55.73 54.39 1gqn s ARG 198 Cb 0.22 0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 35.13 1gqn s ARG 198 CO 0.02 -0.75 1.24 -2.14 -1.08 0.00 0.00 175.30 172.59 1gqn s PRO 199 N -3.89 3.44 -0.05 3.89 0.02 -1.26 -4.93 135.00 132.22 1gqn s PRO 199 Ca 0.10 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.08 1gqn s PRO 199 Cb -0.04 -2.29 0.01 0.00 0.02 0.00 0.00 34.50 32.20 1gqn s PRO 199 CO 0.03 -0.86 -0.09 0.08 -0.33 0.00 0.00 177.00 175.83 1gqn s VAL 200 N -1.47 0.86 -0.18 3.83 1.01 -1.26 -3.81 120.40 119.38 1gqn s VAL 200 Ca 0.68 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 1gqn s VAL 200 Cb -0.33 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1gqn s VAL 200 CO 0.39 0.29 -0.02 -0.63 0.00 0.00 0.00 175.10 175.12 1gqn s ILE 201 N 0.62 3.84 0.06 2.22 1.01 -0.21 -1.06 121.20 127.69 1gqn s ILE 201 Ca -0.11 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1gqn s ILE 201 Cb -0.14 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1gqn s ILE 201 CO 0.02 0.45 -0.11 0.42 0.00 0.00 0.00 174.94 175.73 1gqn s THR 202 N 0.78 0.84 -0.12 2.92 -4.23 -1.26 -1.22 115.64 113.35 1gqn s THR 202 Ca -0.01 -1.29 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 1gqn s THR 202 Cb -0.14 -0.94 0.08 0.00 1.34 0.00 0.00 72.50 72.84 1gqn s THR 202 CO 0.02 -0.36 0.77 0.00 -0.54 0.00 0.00 174.62 174.51 1gqn s MET 203 N -1.90 0.90 -0.18 3.99 0.23 -0.71 -4.88 119.30 116.75 1gqn s MET 203 Ca -0.04 0.37 -0.05 0.00 -1.03 0.00 0.00 55.69 54.94 1gqn s MET 203 Cb -0.08 0.43 -0.03 0.00 -1.53 0.00 0.00 34.83 33.61 1gqn s MET 203 CO 0.01 -0.25 0.01 0.45 -2.03 0.00 0.00 175.02 173.20 1gqn s SER 204 N -0.85 5.01 0.94 -1.18 0.15 -1.26 -1.24 113.70 115.28 1gqn s SER 204 Ca -0.07 -0.11 -0.15 0.00 0.70 0.00 0.00 55.95 56.32 1gqn s SER 204 Cb -0.01 -1.85 0.19 0.00 -1.71 0.00 0.00 66.02 62.65 1gqn s SER 204 CO 0.06 0.12 1.30 -0.04 1.20 0.00 0.00 173.24 175.88 1gqn s MET 205 N 0.67 0.72 0.94 5.44 1.00 0.39 -4.35 119.30 124.10 1gqn s MET 205 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 55.69 55.23 1gqn s MET 205 Cb -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 34.83 32.81 1gqn s MET 205 CO 0.02 -2.35 0.00 0.00 0.00 0.00 0.00 175.02 172.70 1gqn n ALA 206 N -3.70 -1.54 -0.23 3.03 0.00 -1.26 -2.39 120.51 114.42 1gqn n ALA 206 Ca 0.15 0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.71 1gqn n ALA 206 Cb 0.59 -0.53 0.04 0.00 0.00 0.00 0.00 19.45 19.55 1gqn n ALA 206 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1gqn h LYS 207 N 0.00 0.90 0.00 0.00 3.64 -1.86 -2.50 116.57 116.74 1gqn h LYS 207 Ca 0.01 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1gqn h LYS 207 Cb 0.54 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1gqn h LYS 207 CO 0.00 0.70 -0.11 0.93 -2.27 0.00 0.00 179.45 178.70 1gqn h GLU 208 N 0.87 0.00 -0.12 1.90 5.08 -1.96 -2.60 114.58 117.75 1gqn h GLU 208 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1gqn h GLU 208 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1gqn h GLU 208 CO -0.03 0.11 0.00 0.41 -1.00 0.00 0.00 179.01 178.50 1gqn n GLY 209 N -0.60 0.43 0.42 -3.84 0.00 -0.95 -4.48 105.19 96.16 1gqn n GLY 209 Ca -0.02 -0.50 0.24 0.00 0.00 0.00 0.00 46.02 45.74 1gqn n GLY 209 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gqn h VAL 210 N 2.84 0.52 -0.07 1.61 2.07 -1.34 0.97 116.25 122.84 1gqn h VAL 210 Ca 0.00 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1gqn h VAL 210 Cb 0.61 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1gqn h VAL 210 CO 0.00 0.06 0.05 -0.29 0.02 0.00 0.00 177.57 177.42 1gqn h ILE 211 N 0.35 0.88 0.00 4.57 6.09 -1.84 0.14 117.51 127.70 1gqn h ILE 211 Ca 0.58 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 64.04 1gqn h ILE 211 Cb 1.57 0.96 -0.00 0.00 0.47 0.00 0.00 36.82 39.82 1gqn h ILE 211 CO -0.26 0.00 -0.14 0.77 -3.07 0.00 0.00 178.15 175.46 1gqn h SER 212 N 0.00 0.00 1.66 2.19 4.64 -1.11 -1.26 113.55 119.68 1gqn h SER 212 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1gqn h SER 212 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1gqn h SER 212 CO -0.00 0.14 -0.09 0.03 -0.87 0.00 0.00 176.83 176.03 1gqn h ARG 213 N 0.00 0.00 0.00 4.77 3.08 -1.06 -3.35 114.38 117.82 1gqn h ARG 213 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1gqn h ARG 213 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1gqn h ARG 213 CO 0.02 0.00 -2.04 1.28 -1.07 0.00 0.00 179.97 178.16 1gqn n LEU 214 N -2.68 0.03 -1.70 3.04 4.77 -0.56 -4.59 117.00 115.31 1gqn n LEU 214 Ca 0.04 0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.10 1gqn n LEU 214 Cb 0.49 0.09 0.37 0.00 -2.33 0.00 0.00 43.42 42.03 1gqn n LEU 214 CO 0.33 0.08 0.85 0.00 -1.33 0.00 0.00 177.39 177.33 1gqn n ALA 215 N -2.35 3.77 0.23 -1.18 0.00 -0.69 -4.61 120.51 115.68 1gqn n ALA 215 Ca -0.09 -2.05 0.09 0.00 0.00 0.00 0.00 53.44 51.40 1gqn n ALA 215 Cb 0.68 -1.05 0.64 0.00 0.00 0.00 0.00 19.45 19.72 1gqn n ALA 215 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1gqn h GLY 216 N 3.45 0.01 2.00 0.00 0.00 -1.80 -1.66 103.07 105.06 1gqn h GLY 216 Ca 0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1gqn h GLY 216 CO 0.46 0.00 -0.27 -2.09 0.00 0.00 0.00 176.54 174.64 1gqn h GLU 217 N 0.01 0.00 0.01 4.80 4.81 -1.82 0.55 114.58 122.94 1gqn h GLU 217 Ca 0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1gqn h GLU 217 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1gqn h GLU 217 CO -0.00 0.27 -0.07 0.28 -0.73 0.00 0.00 179.01 178.75 1gqn h VAL 218 N 0.00 1.76 -0.01 0.32 2.07 -1.68 -3.39 116.25 115.33 1gqn h VAL 218 Ca -0.00 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1gqn h VAL 218 Cb 0.61 3.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1gqn h VAL 218 CO 0.03 0.61 -0.68 0.49 0.02 0.00 0.00 177.57 178.04 1gqn n PHE 219 N -4.58 0.00 0.00 1.57 3.01 -0.97 -5.00 117.46 111.49 1gqn n PHE 219 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1gqn n PHE 219 Cb 0.50 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1gqn n PHE 219 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gqn n GLY 220 N 1.46 1.87 3.59 1.37 0.00 0.04 -2.97 105.19 110.55 1gqn n GLY 220 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1gqn n GLY 220 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gqn s SER 221 N -2.00 5.59 0.00 1.61 0.15 -0.36 -4.68 113.70 114.02 1gqn s SER 221 Ca 0.00 0.01 0.29 0.00 0.70 0.00 0.00 55.95 56.95 1gqn s SER 221 Cb 0.00 -1.98 1.22 0.00 -1.71 0.00 0.00 66.02 63.55 1gqn s SER 221 CO 0.00 0.10 1.90 0.00 1.20 0.00 0.00 173.24 176.44 1gqn n ALA 222 N 4.02 2.53 -3.05 5.45 0.00 -0.22 -4.27 120.51 124.97 1gqn n ALA 222 Ca -0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 1gqn n ALA 222 Cb 0.52 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 1gqn n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gqn s ALA 223 N -2.86 -0.62 0.18 0.00 0.00 -1.26 -1.15 121.76 116.04 1gqn s ALA 223 Ca 0.18 -0.41 -0.08 0.00 0.00 0.00 0.00 51.96 51.65 1gqn s ALA 223 Cb 0.19 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 24.11 1gqn s ALA 223 CO 0.53 -0.72 0.28 -0.08 0.00 0.00 0.00 175.76 175.77 1gqn s THR 224 N -3.89 0.05 -0.05 0.00 -1.32 0.29 -4.64 115.64 106.08 1gqn s THR 224 Ca 0.10 -1.48 0.05 0.00 -1.21 0.00 0.00 61.69 59.15 1gqn s THR 224 Cb 0.01 -1.96 -0.02 0.00 -1.51 0.00 0.00 72.50 69.02 1gqn s THR 224 CO -0.04 -0.24 -0.18 -0.36 -2.21 0.00 0.00 174.62 171.59 1gqn s PHE 225 N -4.00 2.59 0.29 9.09 0.40 -1.26 -0.65 117.98 124.44 1gqn s PHE 225 Ca 0.20 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 1gqn s PHE 225 Cb 0.03 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1gqn s PHE 225 CO 0.02 0.03 0.13 0.20 0.70 0.00 0.00 175.22 176.30 1gqn s GLY 226 N -0.49 1.95 -0.03 4.36 0.00 -0.43 -4.78 107.32 107.90 1gqn s GLY 226 Ca 0.06 -1.78 -0.01 0.00 0.00 0.00 0.00 44.72 42.99 1gqn s GLY 226 CO 0.01 -1.61 0.05 0.00 0.00 0.00 0.00 173.10 171.55 1gqn s ALA 227 N -3.64 3.49 -0.42 3.20 0.00 -0.04 -4.41 121.76 119.95 1gqn s ALA 227 Ca 0.36 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 1gqn s ALA 227 Cb 0.06 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.66 1gqn s ALA 227 CO 0.15 0.66 1.17 0.08 0.00 0.00 0.00 175.76 177.82 1gqn s VAL 228 N -1.10 4.23 0.22 0.00 1.01 -1.26 0.20 120.40 123.70 1gqn s VAL 228 Ca 0.20 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1gqn s VAL 228 Cb -0.12 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1gqn s VAL 228 CO 0.10 -0.82 0.00 0.29 0.00 0.00 0.00 175.10 174.67 1gqn n LYS 229 N 7.61 -1.83 0.00 2.72 4.76 -1.26 -4.81 118.16 125.34 1gqn n LYS 229 Ca 0.13 1.22 0.00 0.00 -2.87 0.00 0.00 58.31 56.79 1gqn n LYS 229 Cb 0.48 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 1gqn n LYS 229 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gqn n GLN 230 N -2.88 0.00 -2.90 1.97 -0.00 -1.26 -4.81 117.38 107.49 1gqn n GLN 230 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.60 1gqn n GLN 230 Cb 0.61 0.00 -0.05 0.00 -0.00 0.00 0.00 30.24 30.80 1gqn n GLN 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gqn s ALA 231 N 0.00 3.31 -0.13 2.61 0.00 -1.26 -4.96 121.76 121.33 1gqn s ALA 231 Ca 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 1gqn s ALA 231 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1gqn s ALA 231 CO 0.00 -0.02 -0.22 0.43 0.00 0.00 0.00 175.76 175.96 1gqn n SER 232 N 3.07 1.54 -4.92 0.00 7.64 -1.26 -5.02 113.62 114.67 1gqn n SER 232 Ca -0.00 0.42 -0.26 0.00 1.01 0.00 0.00 58.87 60.04 1gqn n SER 232 Cb 0.50 -0.75 -0.01 0.00 -1.01 0.00 0.00 64.21 62.94 1gqn n SER 232 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gqn s ALA 233 N -2.85 3.56 0.28 -0.43 0.00 -1.26 -5.02 121.76 116.04 1gqn s ALA 233 Ca -0.18 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 1gqn s ALA 233 Cb 0.02 -2.34 -0.14 0.00 0.00 0.00 0.00 23.12 20.66 1gqn s ALA 233 CO 0.26 -0.07 1.05 -2.30 0.00 0.00 0.00 175.76 174.71 1gqn n PRO 234 N -1.71 1.38 -0.42 0.00 -0.02 -1.26 -1.95 135.00 131.01 1gqn n PRO 234 Ca -0.02 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1gqn n PRO 234 Cb 0.55 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1gqn n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gqn n GLY 235 N 1.32 1.00 3.88 -1.23 0.00 -1.26 -4.41 105.19 104.49 1gqn n GLY 235 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1gqn n GLY 235 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gqn s GLN 236 N -0.44 3.22 -0.06 1.61 -1.52 -0.82 -4.78 119.66 116.87 1gqn s GLN 236 Ca 0.00 -0.65 0.03 0.00 -1.95 0.00 0.00 55.36 52.79 1gqn s GLN 236 Cb 0.00 -2.87 0.01 0.00 -0.22 0.00 0.00 33.01 29.93 1gqn s GLN 236 CO 0.00 0.54 -0.13 -1.50 -0.25 0.00 0.00 175.29 173.95 1gqn s ILE 237 N -1.65 1.15 0.48 1.08 2.07 -1.26 -4.90 121.20 118.17 1gqn s ILE 237 Ca 0.33 -0.51 -0.23 0.00 -1.41 0.00 0.00 60.65 58.83 1gqn s ILE 237 Cb -0.11 -1.04 -0.07 0.00 0.13 0.00 0.00 42.46 41.37 1gqn s ILE 237 CO 0.26 0.35 1.23 0.00 -1.91 0.00 0.00 174.94 174.88 1gqn s ALA 238 N 0.51 2.96 0.41 1.50 0.00 -1.26 -0.86 121.76 125.03 1gqn s ALA 238 Ca -0.12 1.07 0.11 0.00 0.00 0.00 0.00 51.96 53.03 1gqn s ALA 238 Cb -0.14 -3.44 0.95 0.00 0.00 0.00 0.00 23.12 20.48 1gqn s ALA 238 CO 0.03 -0.87 1.98 -0.39 0.00 0.00 0.00 175.76 176.51 1gqn h VAL 239 N 1.82 0.94 -0.34 0.00 -1.51 -0.56 -0.30 116.25 116.30 1gqn h VAL 239 Ca -0.50 -0.17 -0.13 0.00 -1.23 0.00 0.00 66.70 64.67 1gqn h VAL 239 Cb 1.26 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.80 1gqn h VAL 239 CO 0.60 0.09 -0.31 0.78 -1.23 0.00 0.00 177.57 177.50 1gqn h ASN 240 N 0.50 0.76 -0.50 4.19 -0.26 -1.89 0.07 115.58 118.45 1gqn h ASN 240 Ca 0.28 -0.30 -0.07 0.00 -0.56 0.00 0.00 56.30 55.64 1gqn h ASN 240 Cb 0.44 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 1gqn h ASN 240 CO -0.08 1.01 0.03 0.44 -1.06 0.00 0.00 177.43 177.76 1gqn h ASP 241 N 0.62 0.84 -0.28 5.81 3.32 -1.72 -1.10 116.42 123.91 1gqn h ASP 241 Ca 0.07 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1gqn h ASP 241 Cb 0.83 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1gqn h ASP 241 CO 0.07 0.92 0.16 0.25 -1.72 0.00 0.00 179.24 178.93 1gqn h LEU 242 N 0.73 0.34 -0.77 1.55 5.85 -0.86 -1.64 115.31 120.50 1gqn h LEU 242 Ca 0.14 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1gqn h LEU 242 Cb 0.48 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1gqn h LEU 242 CO 0.02 0.30 0.50 -0.09 -0.34 0.00 0.00 178.44 178.83 1gqn h ARG 243 N 0.35 0.97 -0.73 1.25 2.43 -0.83 -0.19 114.38 117.63 1gqn h ARG 243 Ca 0.10 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1gqn h ARG 243 Cb 0.03 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 1gqn h ARG 243 CO -0.02 0.64 0.20 0.66 -1.51 0.00 0.00 179.97 179.95 1gqn h SER 244 N 1.00 1.09 -0.43 -3.80 4.64 -0.90 0.56 113.55 115.72 1gqn h SER 244 Ca 0.29 -0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 1gqn h SER 244 Cb -0.07 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.72 1gqn h SER 244 CO -0.08 1.03 -0.05 0.58 -0.87 0.00 0.00 176.83 177.44 1gqn h VAL 245 N 1.10 1.27 -0.60 0.95 2.07 -0.86 -1.58 116.25 118.59 1gqn h VAL 245 Ca 0.23 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1gqn h VAL 245 Cb 0.35 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1gqn h VAL 245 CO -0.00 0.38 0.34 -0.07 0.02 0.00 0.00 177.57 178.24 1gqn h LEU 246 N 0.62 0.74 -0.49 2.57 3.38 -0.68 -1.37 115.31 120.07 1gqn h LEU 246 Ca 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1gqn h LEU 246 Cb 0.56 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1gqn h LEU 246 CO 0.03 0.60 0.18 0.24 0.09 0.00 0.00 178.44 179.59 1gqn h MET 247 N 0.81 0.74 -0.32 1.13 2.86 -0.78 -1.19 114.93 118.19 1gqn h MET 247 Ca 0.21 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1gqn h MET 247 Cb 0.02 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1gqn h MET 247 CO -0.04 0.68 0.15 0.82 1.06 0.00 0.00 176.91 179.58 1gqn h ILE 248 N 0.65 0.98 -0.82 -1.22 2.04 -0.84 -0.79 117.51 117.52 1gqn h ILE 248 Ca 0.16 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1gqn h ILE 248 Cb 0.22 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1gqn h ILE 248 CO -0.01 0.06 0.40 0.25 0.00 0.00 0.00 178.15 178.85 1gqn h LEU 249 N 0.32 1.07 -0.60 1.44 5.85 -1.16 -2.59 115.31 119.63 1gqn h LEU 249 Ca 0.13 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1gqn h LEU 249 Cb 0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1gqn h LEU 249 CO -0.10 0.89 -0.00 -0.74 -0.34 0.00 0.00 178.44 178.15 1gqn h HIS 250 N 1.17 1.17 -0.46 1.25 2.76 -0.85 -3.03 115.15 117.15 1gqn h HIS 250 Ca 0.28 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1gqn h HIS 250 Cb 0.11 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.76 1gqn h HIS 250 CO 0.01 1.03 0.00 0.09 -1.30 0.00 0.00 177.93 177.76 1gqn n ASN 251 N -4.19 3.85 0.00 3.26 3.02 -0.33 -5.10 115.26 115.78 1gqn n ASN 251 Ca 0.03 -2.42 0.15 0.00 -0.03 0.00 0.00 54.58 52.31 1gqn n ASN 251 Cb 0.35 -0.53 0.90 0.00 -0.61 0.00 0.00 39.78 39.89 1gqn n ASN 251 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64