#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgl s ASP 2 N 0.00 5.16 -0.15 0.00 1.01 -1.26 -5.04 116.67 116.38 1qgl s ASP 2 Ca 0.00 1.36 -0.04 0.00 0.71 0.00 0.00 52.55 54.57 1qgl s ASP 2 Cb 0.00 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 1qgl s ASP 2 CO 0.00 -1.55 -0.01 -0.89 0.21 0.00 0.00 175.17 172.93 1qgl s THR 3 N -3.18 4.15 -0.04 -1.27 2.01 -1.26 -5.01 115.64 111.04 1qgl s THR 3 Ca 0.59 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1qgl s THR 3 Cb -0.13 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.56 1qgl s THR 3 CO 0.54 0.50 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.24 1qgl s ILE 4 N 0.24 0.83 -0.06 1.82 -1.09 -1.26 -3.42 121.20 118.26 1qgl s ILE 4 Ca -0.01 -0.35 0.04 0.00 -2.23 0.00 0.00 60.65 58.10 1qgl s ILE 4 Cb -0.13 -0.76 0.00 0.00 -1.58 0.00 0.00 42.46 39.98 1qgl s ILE 4 CO 0.02 0.27 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.13 1qgl s VAL 5 N 0.45 1.55 0.05 2.92 1.01 -0.82 -0.01 120.40 125.55 1qgl s VAL 5 Ca -0.08 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 1qgl s VAL 5 Cb -0.12 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1qgl s VAL 5 CO 0.01 0.44 0.47 0.00 0.00 0.00 0.00 175.10 176.02 1qgl s ALA 6 N 0.25 -1.17 -0.23 5.51 0.00 0.30 -1.09 121.76 125.33 1qgl s ALA 6 Ca -0.10 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 1qgl s ALA 6 Cb -0.14 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1qgl s ALA 6 CO 0.04 -0.49 -0.06 0.08 0.00 0.00 0.00 175.76 175.33 1qgl s VAL 7 N -2.53 3.09 -0.10 0.00 1.01 -0.40 0.64 120.40 122.12 1qgl s VAL 7 Ca -0.05 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1qgl s VAL 7 Cb -0.01 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1qgl s VAL 7 CO -0.03 0.33 0.04 -1.83 0.00 0.00 0.00 175.10 173.61 1qgl s GLU 8 N 1.40 3.18 -0.77 2.72 -1.05 0.39 -1.41 118.70 123.17 1qgl s GLU 8 Ca 0.03 -0.33 -0.08 0.00 -0.15 0.00 0.00 54.97 54.45 1qgl s GLU 8 Cb -0.15 -2.93 0.20 0.00 -0.44 0.00 0.00 34.13 30.81 1qgl s GLU 8 CO -0.04 0.69 0.65 -0.51 0.95 0.00 0.00 175.26 176.99 1qgl s LEU 9 N -0.82 5.96 -0.40 1.83 1.02 0.18 -1.01 118.68 125.45 1qgl s LEU 9 Ca 0.13 -2.93 -0.23 0.00 0.02 0.00 0.00 54.13 51.12 1qgl s LEU 9 Cb -0.12 -2.03 0.02 0.00 0.02 0.00 0.00 46.19 44.08 1qgl s LEU 9 CO 0.03 -0.43 0.76 -0.62 0.02 0.00 0.00 176.35 176.10 1qgl s ASP 10 N 1.23 6.47 0.20 2.29 -1.08 0.27 -1.71 116.67 124.35 1qgl s ASP 10 Ca 0.19 0.11 0.22 0.00 -0.52 0.00 0.00 52.55 52.56 1qgl s ASP 10 Cb -0.14 -2.38 -0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1qgl s ASP 10 CO -0.07 -0.78 1.04 0.35 0.52 0.00 0.00 175.17 176.23 1qgl n THR 11 N 5.90 0.63 -4.12 1.71 -2.24 -0.90 -1.27 114.28 113.99 1qgl n THR 11 Ca 0.02 -0.55 -0.33 0.00 -2.27 0.00 0.00 64.05 60.92 1qgl n THR 11 Cb 0.48 -0.34 -0.16 0.00 -2.10 0.00 0.00 70.33 68.21 1qgl n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1qgl s TYR 12 N -3.36 2.78 -0.35 4.78 6.14 -1.25 -4.49 117.35 121.60 1qgl s TYR 12 Ca -0.01 -1.66 -0.28 0.00 0.64 0.00 0.00 57.07 55.76 1qgl s TYR 12 Cb 0.10 -1.91 -0.02 0.00 0.42 0.00 0.00 41.96 40.55 1qgl s TYR 12 CO 0.79 -0.81 1.79 -2.14 0.64 0.00 0.00 175.55 175.82 1qgl s PRO 13 N 1.29 3.30 -1.02 4.97 0.02 -1.26 -4.93 135.00 137.36 1qgl s PRO 13 Ca 0.05 1.36 -0.07 0.00 0.02 0.00 0.00 61.00 62.36 1qgl s PRO 13 Cb -0.13 -4.20 0.25 0.00 0.02 0.00 0.00 34.50 30.44 1qgl s PRO 13 CO -0.13 -1.91 0.98 -0.80 -0.33 0.00 0.00 177.00 174.82 1qgl s ASN 14 N 6.17 6.83 0.54 2.53 -0.87 -1.26 -4.89 114.94 123.98 1qgl s ASN 14 Ca 0.78 -3.60 0.22 0.00 -1.57 0.00 0.00 52.86 48.70 1qgl s ASN 14 Cb -0.21 -2.10 1.43 0.00 -0.02 0.00 0.00 41.25 40.35 1qgl s ASN 14 CO 0.33 -0.26 2.11 0.71 -2.57 0.00 0.00 177.10 177.41 1qgl h THR 15 N 3.86 0.78 0.00 1.60 1.35 -1.84 -2.14 112.91 116.51 1qgl h THR 15 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1qgl h THR 15 Cb 0.86 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1qgl h THR 15 CO 0.95 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.32 1qgl n ASP 16 N -4.29 0.00 -0.49 5.36 5.75 -1.26 -2.72 116.55 118.90 1qgl n ASP 16 Ca 0.02 -0.51 0.05 0.00 -0.01 0.00 0.00 54.79 54.33 1qgl n ASP 16 Cb 0.28 -0.04 0.08 0.00 -1.03 0.00 0.00 41.12 40.41 1qgl n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1qgl n ILE 17 N -1.04 0.92 0.00 2.12 -5.35 -0.83 -5.01 119.36 110.17 1qgl n ILE 17 Ca 0.14 -1.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.32 1qgl n ILE 17 Cb 0.08 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 1qgl n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qgl n GLY 18 N -0.57 2.36 3.64 3.28 0.00 -1.10 -4.72 105.19 108.08 1qgl n GLY 18 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1qgl n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qgl n ASP 19 N 0.00 1.63 -4.61 1.61 8.00 -1.09 -4.95 116.55 117.14 1qgl n ASP 19 Ca 0.00 1.04 -0.28 0.00 0.71 0.00 0.00 54.79 56.26 1qgl n ASP 19 Cb 0.00 -1.40 0.20 0.00 -0.02 0.00 0.00 41.12 39.90 1qgl n ASP 19 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1qgl s PRO 20 N -2.13 -0.06 -0.34 -0.24 0.02 -1.26 -4.26 135.00 126.72 1qgl s PRO 20 Ca 0.63 0.54 -0.03 0.00 0.02 0.00 0.00 61.00 62.17 1qgl s PRO 20 Cb -0.53 -1.68 0.07 0.00 0.02 0.00 0.00 34.50 32.38 1qgl s PRO 20 CO 0.56 -3.07 2.60 -1.13 -0.33 0.00 0.00 177.00 175.63 1qgl n SER 21 N -4.42 6.30 -3.62 2.53 3.41 -1.26 -4.62 113.62 111.94 1qgl n SER 21 Ca 0.04 -3.05 -0.04 0.00 -0.26 0.00 0.00 58.87 55.56 1qgl n SER 21 Cb 0.57 -1.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.31 1qgl n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1qgl s TYR 22 N -1.39 -0.17 0.40 7.33 -0.85 -1.26 -4.98 117.35 116.43 1qgl s TYR 22 Ca 0.49 0.01 -0.26 0.00 -0.52 0.00 0.00 57.07 56.79 1qgl s TYR 22 Cb 0.32 0.57 -0.11 0.00 0.38 0.00 0.00 41.96 43.12 1qgl s TYR 22 CO -0.12 -0.50 1.23 -2.30 -1.52 0.00 0.00 175.55 172.34 1qgl n PRO 23 N -0.34 1.89 -3.55 -3.49 -0.02 -1.26 -4.64 135.00 123.58 1qgl n PRO 23 Ca -0.06 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 61.98 1qgl n PRO 23 Cb 0.61 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 1qgl n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1qgl s HIS 24 N -1.18 -0.33 -0.06 6.00 -3.43 -0.39 -1.55 115.29 114.34 1qgl s HIS 24 Ca 0.60 0.07 0.01 0.00 -0.80 0.00 0.00 55.06 54.93 1qgl s HIS 24 Cb -0.53 0.37 -0.03 0.00 -1.43 0.00 0.00 32.58 30.95 1qgl s HIS 24 CO 0.59 -0.75 -0.06 0.96 -2.00 0.00 0.00 174.74 173.48 1qgl s ILE 25 N -3.73 3.77 0.13 -5.38 -4.36 -0.74 -0.56 121.20 110.32 1qgl s ILE 25 Ca 0.02 -0.49 -0.09 0.00 -0.26 0.00 0.00 60.65 59.82 1qgl s ILE 25 Cb 0.01 -2.56 -0.00 0.00 1.25 0.00 0.00 42.46 41.15 1qgl s ILE 25 CO -0.12 0.57 0.25 -0.83 0.24 0.00 0.00 174.94 175.05 1qgl s GLY 26 N -0.91 0.24 -0.27 6.27 0.00 -0.18 -1.42 107.32 111.05 1qgl s GLY 26 Ca 0.13 -0.70 -0.08 0.00 0.00 0.00 0.00 44.72 44.07 1qgl s GLY 26 CO 0.02 -0.78 0.11 -0.42 0.00 0.00 0.00 173.10 172.03 1qgl s ILE 27 N -3.91 4.46 -0.23 0.90 1.01 -0.69 -0.46 121.20 122.28 1qgl s ILE 27 Ca 0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 1qgl s ILE 27 Cb 0.04 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 1qgl s ILE 27 CO -0.06 0.23 0.02 -1.81 0.00 0.00 0.00 174.94 173.32 1qgl s ASP 28 N 1.62 4.78 -0.40 3.58 1.01 0.21 -1.04 116.67 126.42 1qgl s ASP 28 Ca 0.06 -0.27 -0.05 0.00 0.71 0.00 0.00 52.55 53.00 1qgl s ASP 28 Cb -0.16 -1.84 0.09 0.00 1.01 0.00 0.00 42.92 42.03 1qgl s ASP 28 CO 0.05 -0.01 0.20 -0.63 0.21 0.00 0.00 175.17 174.98 1qgl s ILE 29 N 1.47 3.53 0.00 0.77 -1.09 -1.26 -0.54 121.20 124.08 1qgl s ILE 29 Ca 0.05 -1.79 0.00 0.00 -2.23 0.00 0.00 60.65 56.69 1qgl s ILE 29 Cb -0.15 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1qgl s ILE 29 CO 0.01 -0.57 0.00 0.29 -1.23 0.00 0.00 174.94 173.44 1qgl n LYS 30 N 4.70 -1.47 -3.72 2.79 5.02 0.99 -4.92 118.16 121.54 1qgl n LYS 30 Ca -0.06 0.37 -0.14 0.00 -2.02 0.00 0.00 58.31 56.46 1qgl n LYS 30 Cb 0.42 -4.87 -0.09 0.00 -0.02 0.00 0.00 35.03 30.47 1qgl n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1qgl s SER 31 N -2.00 -0.32 0.04 4.39 0.15 -1.26 -4.92 113.70 109.78 1qgl s SER 31 Ca 0.00 0.39 0.17 0.00 0.70 0.00 0.00 55.95 57.21 1qgl s SER 31 Cb 0.00 0.50 0.74 0.00 -1.71 0.00 0.00 66.02 65.55 1qgl s SER 31 CO 0.00 -0.37 1.55 0.55 1.20 0.00 0.00 173.24 176.17 1qgl n VAL 32 N 1.73 0.87 -2.90 4.45 3.14 -1.26 -4.29 118.33 120.07 1qgl n VAL 32 Ca -0.19 0.21 -0.44 0.00 -2.96 0.00 0.00 64.34 60.97 1qgl n VAL 32 Cb 0.56 -0.97 -0.02 0.00 -1.06 0.00 0.00 33.84 32.36 1qgl n VAL 32 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1qgl s ARG 33 N -3.05 3.63 0.07 1.45 0.52 -1.26 -4.97 118.95 115.34 1qgl s ARG 33 Ca 0.07 -1.77 -0.36 0.00 -0.52 0.00 0.00 55.73 53.15 1qgl s ARG 33 Cb 0.10 -4.96 -0.19 0.00 0.52 0.00 0.00 34.95 30.42 1qgl s ARG 33 CO 0.32 -1.81 0.93 0.43 0.02 0.00 0.00 175.30 175.18 1qgl n SER 34 N 6.67 -0.24 0.21 0.23 7.64 -1.26 -4.84 113.62 122.03 1qgl n SER 34 Ca 0.26 1.15 0.08 0.00 1.01 0.00 0.00 58.87 61.37 1qgl n SER 34 Cb 0.49 -0.95 0.40 0.00 -1.01 0.00 0.00 64.21 63.14 1qgl n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1qgl h LYS 35 N 2.50 0.00 -2.47 1.43 1.79 -1.43 -3.45 116.57 114.94 1qgl h LYS 35 Ca -0.44 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.94 1qgl h LYS 35 Cb 1.43 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.87 1qgl h LYS 35 CO 0.63 0.29 -0.05 0.21 -1.08 0.00 0.00 179.45 179.45 1qgl s LYS 36 N -3.64 0.78 0.16 3.15 2.47 -1.25 -5.02 119.74 116.38 1qgl s LYS 36 Ca 0.00 0.32 -0.05 0.00 -1.56 0.00 0.00 55.97 54.68 1qgl s LYS 36 Cb 0.11 0.37 -0.02 0.00 -1.46 0.00 0.00 37.83 36.82 1qgl s LYS 36 CO 0.66 -0.19 0.19 0.95 0.16 0.00 0.00 175.35 177.12 1qgl s THR 37 N -0.66 0.07 -0.08 3.43 -4.23 -1.26 -1.71 115.64 111.20 1qgl s THR 37 Ca -0.08 -1.65 -0.12 0.00 -1.18 0.00 0.00 61.69 58.67 1qgl s THR 37 Cb -0.03 -1.99 0.03 0.00 1.34 0.00 0.00 72.50 71.85 1qgl s THR 37 CO 0.05 -0.33 0.31 0.00 -0.54 0.00 0.00 174.62 174.11 1qgl s ALA 38 N -4.02 -0.77 0.32 3.99 0.00 -0.51 -4.98 121.76 115.78 1qgl s ALA 38 Ca 0.22 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 1qgl s ALA 38 Cb 0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 23.12 22.77 1qgl s ALA 38 CO 0.02 -0.19 1.46 0.21 0.00 0.00 0.00 175.76 177.26 1qgl s LYS 39 N -0.41 4.20 -0.13 0.00 2.20 -1.26 -1.79 119.74 122.55 1qgl s LYS 39 Ca -0.05 2.43 -0.01 0.00 -0.36 0.00 0.00 55.97 57.98 1qgl s LYS 39 Cb -0.04 -3.04 0.03 0.00 -1.51 0.00 0.00 37.83 33.28 1qgl s LYS 39 CO 0.02 -0.45 -0.05 -0.46 -0.36 0.00 0.00 175.35 174.04 1qgl s TRP 40 N -0.59 1.44 -1.27 4.03 -0.00 -0.60 -4.80 118.94 117.16 1qgl s TRP 40 Ca 0.56 -0.80 -0.16 0.00 -0.00 0.00 0.00 56.10 55.70 1qgl s TRP 40 Cb -0.44 -1.20 0.11 0.00 -0.00 0.00 0.00 33.47 31.94 1qgl s TRP 40 CO 0.53 -0.53 1.63 0.09 -0.00 0.00 0.00 176.95 178.66 1qgl n ASN 41 N 4.95 5.04 -4.72 5.86 3.02 -1.26 -4.46 115.26 123.69 1qgl n ASN 41 Ca -0.11 -2.94 -0.42 0.00 -0.03 0.00 0.00 54.58 51.07 1qgl n ASN 41 Cb 0.49 -1.67 -0.03 0.00 -0.61 0.00 0.00 39.78 37.96 1qgl n ASN 41 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1qgl s MET 42 N 3.07 4.14 -0.40 3.52 -2.45 -1.26 -4.96 119.30 120.95 1qgl s MET 42 Ca 0.49 2.58 -0.08 0.00 -1.25 0.00 0.00 55.69 57.43 1qgl s MET 42 Cb 0.01 -3.08 0.08 0.00 1.25 0.00 0.00 34.83 33.09 1qgl s MET 42 CO 0.04 -0.73 0.23 -0.65 1.05 0.00 0.00 175.02 174.96 1qgl s GLN 43 N 1.11 2.52 -0.00 4.11 -0.21 -1.26 -5.06 119.66 120.86 1qgl s GLN 43 Ca 0.74 -1.47 -0.33 0.00 0.02 0.00 0.00 55.36 54.32 1qgl s GLN 43 Cb -0.49 -3.70 -0.11 0.00 1.00 0.00 0.00 33.01 29.71 1qgl s GLN 43 CO 0.33 -0.93 1.87 -1.71 -2.12 0.00 0.00 175.29 172.73 1qgl n ASN 44 N 4.85 3.68 0.00 5.90 2.85 -1.26 -2.28 115.26 129.00 1qgl n ASN 44 Ca -0.09 0.97 0.00 0.00 -0.11 0.00 0.00 54.58 55.34 1qgl n ASN 44 Cb 0.43 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 40.01 1qgl n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qgl n GLY 45 N 4.32 0.87 3.77 8.20 0.00 -0.68 -4.98 105.19 116.69 1qgl n GLY 45 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1qgl n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qgl s LYS 46 N -0.65 2.85 -0.12 1.61 1.02 -0.96 -4.94 119.74 118.53 1qgl s LYS 46 Ca 0.00 -0.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 1qgl s LYS 46 Cb 0.00 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1qgl s LYS 46 CO 0.00 0.53 0.99 0.08 -0.92 0.00 0.00 175.35 176.03 1qgl s VAL 47 N -1.52 4.79 0.40 3.17 1.01 -1.26 -4.23 120.40 122.77 1qgl s VAL 47 Ca 0.29 2.00 0.07 0.00 0.00 0.00 0.00 61.98 64.35 1qgl s VAL 47 Cb -0.11 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 1qgl s VAL 47 CO 0.22 -0.01 0.12 -0.83 0.00 0.00 0.00 175.10 174.60 1qgl s GLY 48 N 1.11 2.35 -0.02 4.51 0.00 0.24 -4.55 107.32 110.96 1qgl s GLY 48 Ca 0.47 -2.15 0.03 0.00 0.00 0.00 0.00 44.72 43.07 1qgl s GLY 48 CO 0.16 -1.96 -0.12 -1.59 0.00 0.00 0.00 173.10 169.59 1qgl s THR 49 N -2.62 0.99 -0.04 0.90 2.01 -0.11 -1.15 115.64 115.62 1qgl s THR 49 Ca 0.39 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 61.94 1qgl s THR 49 Cb 0.05 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 1qgl s THR 49 CO 0.21 0.29 -0.21 0.00 -0.69 0.00 0.00 174.62 174.22 1qgl s ALA 50 N -0.07 1.79 -0.12 7.40 0.00 -0.38 -0.81 121.76 129.57 1qgl s ALA 50 Ca 0.01 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1qgl s ALA 50 Cb -0.07 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1qgl s ALA 50 CO 0.00 0.37 -0.14 -1.01 0.00 0.00 0.00 175.76 174.98 1qgl s HIS 51 N -0.19 2.00 -0.14 0.00 3.76 0.47 -2.11 115.29 119.08 1qgl s HIS 51 Ca 0.00 -1.00 -0.00 0.00 -0.15 0.00 0.00 55.06 53.90 1qgl s HIS 51 Cb -0.11 -1.46 -0.01 0.00 1.11 0.00 0.00 32.58 32.11 1qgl s HIS 51 CO 0.02 -0.54 -0.13 0.42 -0.85 0.00 0.00 174.74 173.65 1qgl s ILE 52 N 1.20 2.96 0.10 0.60 1.09 0.62 -0.82 121.20 126.94 1qgl s ILE 52 Ca -0.02 -0.68 0.05 0.00 -1.10 0.00 0.00 60.65 58.90 1qgl s ILE 52 Cb -0.14 -2.25 -0.03 0.00 -1.06 0.00 0.00 42.46 38.98 1qgl s ILE 52 CO -0.05 0.52 -0.13 0.27 -0.10 0.00 0.00 174.94 175.44 1qgl s ILE 53 N 0.50 1.17 -0.28 2.92 -4.36 -0.11 -0.58 121.20 120.47 1qgl s ILE 53 Ca -0.09 -1.54 -0.24 0.00 -0.26 0.00 0.00 60.65 58.52 1qgl s ILE 53 Cb -0.16 -1.31 0.09 0.00 1.25 0.00 0.00 42.46 42.33 1qgl s ILE 53 CO 0.04 -0.36 0.85 -0.47 0.24 0.00 0.00 174.94 175.24 1qgl s TYR 54 N -1.84 -0.68 -0.01 1.37 5.04 -0.97 -1.61 117.35 118.66 1qgl s TYR 54 Ca 0.04 1.62 -0.02 0.00 -2.44 0.00 0.00 57.07 56.26 1qgl s TYR 54 Cb -0.07 0.33 -0.00 0.00 0.35 0.00 0.00 41.96 42.57 1qgl s TYR 54 CO 0.02 -0.33 0.05 0.54 -1.34 0.00 0.00 175.55 174.49 1qgl s ASN 55 N 0.43 0.04 0.35 4.32 2.20 -1.26 -1.69 114.94 119.33 1qgl s ASN 55 Ca 0.00 -0.11 0.27 0.00 -0.94 0.00 0.00 52.86 52.08 1qgl s ASN 55 Cb -0.05 0.13 1.17 0.00 -2.00 0.00 0.00 41.25 40.50 1qgl s ASN 55 CO -0.04 -0.16 1.80 0.77 -2.94 0.00 0.00 177.10 176.53 1qgl h SER 56 N 5.34 0.00 0.01 3.54 4.64 -0.59 -0.65 113.55 125.84 1qgl h SER 56 Ca -0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1qgl h SER 56 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1qgl h SER 56 CO 0.44 0.00 -0.01 0.58 -0.87 0.00 0.00 176.83 176.98 1qgl h VAL 57 N 0.00 1.46 0.00 0.95 2.07 -1.89 -3.31 116.25 115.53 1qgl h VAL 57 Ca 0.00 -1.47 -0.17 0.00 0.82 0.00 0.00 66.70 65.88 1qgl h VAL 57 Cb 0.33 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 1qgl h VAL 57 CO 0.00 0.38 -0.87 0.44 0.02 0.00 0.00 177.57 177.53 1qgl h ASP 58 N -0.65 0.00 -6.04 0.57 3.32 -1.96 -3.47 116.42 108.18 1qgl h ASP 58 Ca -0.00 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.63 1qgl h ASP 58 Cb 0.63 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.24 1qgl h ASP 58 CO 0.00 0.78 -0.77 0.29 -1.72 0.00 0.00 179.24 177.82 1qgl n LYS 59 N -3.26 -5.93 -4.34 3.56 5.02 -0.26 -4.90 118.16 108.07 1qgl n LYS 59 Ca -0.01 0.69 -0.31 0.00 -2.02 0.00 0.00 58.31 56.66 1qgl n LYS 59 Cb 0.86 -5.51 -0.16 0.00 -0.02 0.00 0.00 35.03 30.20 1qgl n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1qgl s ARG 60 N -6.13 2.61 -0.32 1.97 6.06 -1.25 -0.88 118.95 121.01 1qgl s ARG 60 Ca 0.30 -0.69 -0.11 0.00 -2.50 0.00 0.00 55.73 52.73 1qgl s ARG 60 Cb -0.15 -2.23 -0.02 0.00 0.06 0.00 0.00 34.95 32.62 1qgl s ARG 60 CO 0.79 -0.12 0.20 -1.17 -2.50 0.00 0.00 175.30 172.49 1qgl s LEU 61 N 1.13 4.28 0.12 -0.88 2.96 0.68 -4.12 118.68 122.85 1qgl s LEU 61 Ca -0.01 -0.40 0.09 0.00 -0.22 0.00 0.00 54.13 53.59 1qgl s LEU 61 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1qgl s LEU 61 CO -0.06 -0.19 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.11 1qgl s SER 62 N 1.69 2.78 0.00 3.68 0.01 -0.63 -0.61 113.70 120.62 1qgl s SER 62 Ca 0.06 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1qgl s SER 62 Cb -0.17 -0.17 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 1qgl s SER 62 CO 0.09 0.08 -0.01 0.00 0.41 0.00 0.00 173.24 173.81 1qgl s ALA 63 N -1.26 0.04 -0.04 1.44 0.00 -0.05 -0.93 121.76 120.96 1qgl s ALA 63 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1qgl s ALA 63 Cb -0.09 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1qgl s ALA 63 CO 0.05 -0.02 -0.10 0.08 0.00 0.00 0.00 175.76 175.78 1qgl s VAL 64 N -0.23 0.88 -0.07 0.00 1.01 -0.00 -2.07 120.40 119.91 1qgl s VAL 64 Ca -0.02 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1qgl s VAL 64 Cb -0.02 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1qgl s VAL 64 CO -0.00 0.29 -0.12 -0.69 0.00 0.00 0.00 175.10 174.58 1qgl s VAL 65 N 0.51 1.15 0.19 2.92 1.01 -0.57 -0.39 120.40 125.23 1qgl s VAL 65 Ca -0.09 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1qgl s VAL 65 Cb -0.13 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1qgl s VAL 65 CO 0.02 0.36 0.23 -0.94 0.00 0.00 0.00 175.10 174.77 1qgl s SER 66 N 0.78 0.09 0.10 3.32 1.04 0.01 -1.16 113.70 117.87 1qgl s SER 66 Ca -0.12 -1.14 0.06 0.00 0.48 0.00 0.00 55.95 55.22 1qgl s SER 66 Cb -0.15 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 1qgl s SER 66 CO 0.02 -0.90 -0.14 -0.31 0.98 0.00 0.00 173.24 172.88 1qgl s TYR 67 N -4.07 1.33 0.42 5.02 2.02 -1.26 -0.94 117.35 119.87 1qgl s TYR 67 Ca 0.28 -0.51 -0.26 0.00 -0.37 0.00 0.00 57.07 56.21 1qgl s TYR 67 Cb 0.04 -0.72 -0.10 0.00 -0.40 0.00 0.00 41.96 40.79 1qgl s TYR 67 CO 0.07 0.10 1.32 -2.30 -1.57 0.00 0.00 175.55 173.17 1qgl n PRO 68 N 0.90 2.06 -2.95 -1.71 -0.02 -1.26 -2.45 135.00 129.57 1qgl n PRO 68 Ca -0.18 0.73 -0.19 0.00 -2.02 0.00 0.00 63.50 61.84 1qgl n PRO 68 Cb 0.55 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1qgl n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qgl n ASN 69 N 0.20 -4.35 -4.13 2.55 5.03 -1.26 -4.94 115.26 108.36 1qgl n ASN 69 Ca 0.06 -0.16 -0.10 0.00 0.87 0.00 0.00 54.58 55.25 1qgl n ASN 69 Cb 0.40 -3.61 -0.09 0.00 -1.02 0.00 0.00 39.78 35.45 1qgl n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qgl s ALA 70 N -2.88 0.79 0.78 5.41 0.00 -1.03 -5.15 121.76 119.69 1qgl s ALA 70 Ca 0.23 -1.43 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 1qgl s ALA 70 Cb -0.12 1.01 0.06 0.00 0.00 0.00 0.00 23.12 24.07 1qgl s ALA 70 CO 0.28 -0.55 1.10 -0.51 0.00 0.00 0.00 175.76 176.09 1qgl s ASP 71 N -3.07 4.69 0.30 0.00 1.01 -1.26 -4.65 116.67 113.69 1qgl s ASP 71 Ca 0.27 1.24 0.09 0.00 0.71 0.00 0.00 52.55 54.86 1qgl s ASP 71 Cb 0.07 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.98 1qgl s ASP 71 CO 0.04 -1.83 0.06 -0.94 0.21 0.00 0.00 175.17 172.71 1qgl s SER 72 N -4.04 4.61 -0.09 0.27 1.04 -1.26 -4.40 113.70 109.83 1qgl s SER 72 Ca 0.60 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1qgl s SER 72 Cb -0.13 -0.81 -0.03 0.00 0.10 0.00 0.00 66.02 65.15 1qgl s SER 72 CO 0.53 -0.12 -0.08 0.00 0.98 0.00 0.00 173.24 174.55 1qgl s ALA 73 N -2.36 2.88 0.06 5.32 0.00 -0.31 -4.96 121.76 122.39 1qgl s ALA 73 Ca 0.34 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.48 1qgl s ALA 73 Cb -0.05 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 1qgl s ALA 73 CO 0.21 0.45 -0.19 0.99 0.00 0.00 0.00 175.76 177.23 1qgl s THR 74 N -0.40 1.50 -0.14 0.00 2.01 -1.26 -1.51 115.64 115.84 1qgl s THR 74 Ca 0.05 -1.26 -0.11 0.00 0.31 0.00 0.00 61.69 60.68 1qgl s THR 74 Cb -0.12 -1.34 0.04 0.00 0.01 0.00 0.00 72.50 71.08 1qgl s THR 74 CO 0.02 0.04 0.35 0.54 -0.69 0.00 0.00 174.62 174.88 1qgl s VAL 75 N -0.96 -0.01 -0.03 3.82 0.11 -0.88 -4.72 120.40 117.73 1qgl s VAL 75 Ca 0.05 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.07 1qgl s VAL 75 Cb -0.09 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.27 1qgl s VAL 75 CO 0.02 0.01 0.13 -0.55 -3.33 0.00 0.00 175.10 171.38 1qgl s SER 76 N 0.44 -0.08 -0.07 3.54 0.15 -1.26 -0.87 113.70 115.55 1qgl s SER 76 Ca -0.02 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.69 1qgl s SER 76 Cb -0.04 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1qgl s SER 76 CO -0.02 -0.14 0.18 -0.47 1.20 0.00 0.00 173.24 173.99 1qgl s TYR 77 N -0.36 -0.21 -0.29 3.44 5.04 0.22 -4.97 117.35 120.23 1qgl s TYR 77 Ca -0.04 0.51 -0.27 0.00 -2.44 0.00 0.00 57.07 54.82 1qgl s TYR 77 Cb -0.03 0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.34 1qgl s TYR 77 CO 0.00 -0.11 0.98 -0.51 -1.34 0.00 0.00 175.55 174.57 1qgl s ASP 78 N 0.30 6.90 -0.15 4.32 1.01 -1.26 -0.23 116.67 127.56 1qgl s ASP 78 Ca -0.02 1.03 -0.19 0.00 0.71 0.00 0.00 52.55 54.08 1qgl s ASP 78 Cb -0.03 -2.50 0.05 0.00 1.01 0.00 0.00 42.92 41.44 1qgl s ASP 78 CO -0.01 -0.75 0.50 0.54 0.21 0.00 0.00 175.17 175.66 1qgl s VAL 79 N 3.34 0.01 -0.62 -1.27 0.11 -0.06 -4.98 120.40 116.93 1qgl s VAL 79 Ca 0.41 -0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 59.27 1qgl s VAL 79 Cb -0.13 -0.73 0.16 0.00 -1.53 0.00 0.00 36.38 34.14 1qgl s VAL 79 CO 0.12 -0.04 0.53 -0.62 -3.33 0.00 0.00 175.10 171.76 1qgl s ASP 80 N -0.15 6.09 0.29 3.54 -1.08 -1.26 -4.26 116.67 119.84 1qgl s ASP 80 Ca -0.03 -2.24 0.15 0.00 -0.52 0.00 0.00 52.55 49.90 1qgl s ASP 80 Cb -0.03 -2.10 0.80 0.00 -1.46 0.00 0.00 42.92 40.13 1qgl s ASP 80 CO 0.02 -0.66 1.38 0.18 0.52 0.00 0.00 175.17 176.62 1qgl n LEU 81 N 4.52 0.38 0.01 -1.34 4.77 -1.26 -1.29 117.00 122.80 1qgl n LEU 81 Ca -0.01 0.61 -0.03 0.00 -0.03 0.00 0.00 56.01 56.55 1qgl n LEU 81 Cb 0.42 -0.60 0.22 0.00 -2.33 0.00 0.00 43.42 41.13 1qgl n LEU 81 CO 0.42 -0.74 0.78 0.44 -1.33 0.00 0.00 177.39 176.96 1qgl h ASP 82 N 0.00 0.49 0.55 -1.43 5.19 -1.92 -0.46 116.42 118.84 1qgl h ASP 82 Ca 0.00 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1qgl h ASP 82 Cb 0.36 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1qgl h ASP 82 CO 0.00 0.70 -0.20 0.59 -3.12 0.00 0.00 179.24 177.21 1qgl n ASN 83 N -4.16 0.39 -0.08 6.45 3.02 -0.41 -4.40 115.26 116.07 1qgl n ASN 83 Ca 0.00 -0.23 -0.16 0.00 -0.03 0.00 0.00 54.58 54.16 1qgl n ASN 83 Cb 0.37 -0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.40 1qgl n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1qgl n VAL 84 N -1.22 0.84 -3.96 2.41 0.31 -0.95 -5.06 118.33 110.70 1qgl n VAL 84 Ca 0.10 -0.21 -0.27 0.00 -0.01 0.00 0.00 64.34 63.95 1qgl n VAL 84 Cb 0.31 -1.71 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 1qgl n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1qgl s LEU 85 N -6.83 4.28 0.96 7.52 1.43 -0.22 -4.98 118.68 120.84 1qgl s LEU 85 Ca -0.21 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 1qgl s LEU 85 Cb 0.08 -2.86 0.16 0.00 0.03 0.00 0.00 46.19 43.60 1qgl s LEU 85 CO 0.27 0.07 1.10 -2.16 0.23 0.00 0.00 176.35 175.85 1qgl s PRO 86 N -3.11 0.78 0.22 1.29 0.04 -1.26 -4.74 135.00 128.23 1qgl s PRO 86 Ca 0.34 0.60 -0.09 0.00 0.04 0.00 0.00 61.00 61.90 1qgl s PRO 86 Cb -0.11 -1.77 0.19 0.00 0.04 0.00 0.00 34.50 32.85 1qgl s PRO 86 CO 0.28 -2.51 1.89 1.49 0.04 0.00 0.00 177.00 178.18 1qgl h GLU 87 N -1.74 1.13 -6.09 4.56 4.81 -1.94 -3.42 114.58 111.89 1qgl h GLU 87 Ca -0.52 -0.08 -0.68 0.00 -0.13 0.00 0.00 59.36 57.95 1qgl h GLU 87 Cb 1.31 -0.25 -0.16 0.00 0.63 0.00 0.00 28.75 30.29 1qgl h GLU 87 CO 0.57 0.77 -0.65 -1.58 -0.73 0.00 0.00 179.01 177.39 1qgl s TRP 88 N -6.07 3.07 0.36 0.92 0.52 -1.26 -1.88 118.94 114.59 1qgl s TRP 88 Ca -0.13 0.11 -0.04 0.00 0.02 0.00 0.00 56.10 56.06 1qgl s TRP 88 Cb 0.16 -1.72 0.01 0.00 -1.15 0.00 0.00 33.47 30.77 1qgl s TRP 88 CO 0.80 0.43 0.53 0.14 0.02 0.00 0.00 176.95 178.87 1qgl s VAL 89 N -0.93 0.00 0.10 4.03 -7.23 -0.43 -4.37 120.40 111.57 1qgl s VAL 89 Ca 0.15 -1.51 0.09 0.00 -1.81 0.00 0.00 61.98 58.90 1qgl s VAL 89 Cb -0.11 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 1qgl s VAL 89 CO 0.05 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.49 1qgl s ARG 90 N -2.86 1.23 0.14 4.82 0.52 -0.54 0.43 118.95 122.68 1qgl s ARG 90 Ca 0.28 -1.16 0.09 0.00 -0.52 0.00 0.00 55.73 54.42 1qgl s ARG 90 Cb -0.01 -1.51 -0.04 0.00 0.52 0.00 0.00 34.95 33.91 1qgl s ARG 90 CO 0.20 0.36 -0.17 0.14 0.02 0.00 0.00 175.30 175.84 1qgl s VAL 91 N -1.08 2.83 0.05 3.52 -7.23 -1.26 -1.46 120.40 115.77 1qgl s VAL 91 Ca 0.08 -1.63 -0.08 0.00 -1.81 0.00 0.00 61.98 58.55 1qgl s VAL 91 Cb -0.10 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.54 1qgl s VAL 91 CO 0.04 0.02 0.37 0.61 -0.31 0.00 0.00 175.10 175.83 1qgl n GLY 92 N 0.54 0.99 3.21 2.32 0.00 -0.18 -1.83 105.19 110.24 1qgl n GLY 92 Ca -0.14 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 1qgl n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qgl s LEU 93 N 0.00 2.02 0.07 0.99 1.43 -0.58 -0.75 118.68 121.87 1qgl s LEU 93 Ca 0.08 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1qgl s LEU 93 Cb -0.01 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1qgl s LEU 93 CO 0.02 0.24 -0.08 -0.55 0.23 0.00 0.00 176.35 176.20 1qgl s SER 94 N -0.39 1.14 0.13 2.29 0.15 0.12 -1.24 113.70 115.91 1qgl s SER 94 Ca 0.06 -0.76 -0.24 0.00 0.70 0.00 0.00 55.95 55.70 1qgl s SER 94 Cb -0.09 0.04 0.07 0.00 -1.71 0.00 0.00 66.02 64.34 1qgl s SER 94 CO -0.00 -0.29 0.68 0.00 1.20 0.00 0.00 173.24 174.82 1qgl s ALA 95 N -2.33 -1.63 0.24 5.45 0.00 -0.88 0.71 121.76 123.32 1qgl s ALA 95 Ca 0.01 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 1qgl s ALA 95 Cb -0.04 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.90 1qgl s ALA 95 CO -0.01 -0.77 0.71 -1.54 0.00 0.00 0.00 175.76 174.14 1qgl s SER 96 N -2.70 -0.33 0.06 0.00 1.04 -1.10 -2.23 113.70 108.44 1qgl s SER 96 Ca 0.03 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.01 1qgl s SER 96 Cb -0.01 0.69 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 1qgl s SER 96 CO -0.11 -1.24 -0.06 0.42 0.98 0.00 0.00 173.24 173.24 1qgl s THR 97 N -3.85 0.46 0.00 2.02 -4.23 0.47 -0.68 115.64 109.84 1qgl s THR 97 Ca 0.09 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1qgl s THR 97 Cb -0.05 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.74 1qgl s THR 97 CO 0.02 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 1qgl n GLY 98 N 0.77 2.22 0.22 3.99 0.00 -1.26 -2.02 105.19 109.10 1qgl n GLY 98 Ca -0.18 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 1qgl n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1qgl h LEU 99 N 0.00 0.82-10.25 0.99 5.85 -1.97 -0.59 115.31 110.16 1qgl h LEU 99 Ca 0.00 -0.50 -0.46 0.00 0.84 0.00 0.00 57.88 57.76 1qgl h LEU 99 Cb 0.00 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 40.80 1qgl h LEU 99 CO 0.00 1.27 -0.26 -0.31 -0.34 0.00 0.00 178.44 178.80 1qgl s TYR 100 N -3.88 3.40 0.22 1.25 2.02 -1.26 -4.82 117.35 114.29 1qgl s TYR 100 Ca -0.09 0.16 -0.05 0.00 -0.37 0.00 0.00 57.07 56.72 1qgl s TYR 100 Cb 0.10 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.76 1qgl s TYR 100 CO 0.88 0.13 0.26 -1.59 -1.57 0.00 0.00 175.55 173.66 1qgl s LYS 101 N -4.24 1.35 0.00 -0.62 0.00 -1.25 -4.52 119.74 110.47 1qgl s LYS 101 Ca 0.40 -1.53 -0.28 0.00 0.00 0.00 0.00 55.97 54.56 1qgl s LYS 101 Cb -0.09 0.34 0.10 0.00 0.00 0.00 0.00 37.83 38.18 1qgl s LYS 101 CO 0.34 -0.49 0.87 -1.83 0.00 0.00 0.00 175.35 174.23 1qgl s GLU 102 N -4.05 0.85 0.27 1.78 -1.05 -1.06 -3.67 118.70 111.76 1qgl s GLU 102 Ca 0.34 -0.30 -0.19 0.00 -0.15 0.00 0.00 54.97 54.67 1qgl s GLU 102 Cb 0.04 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 34.04 1qgl s GLU 102 CO 0.12 -0.37 0.75 0.95 0.95 0.00 0.00 175.26 177.66 1qgl s THR 103 N -3.10 4.57 -0.63 1.83 -4.23 -0.09 -4.70 115.64 109.29 1qgl s THR 103 Ca 0.04 1.22 0.05 0.00 -1.18 0.00 0.00 61.69 61.83 1qgl s THR 103 Cb -0.01 -3.78 0.20 0.00 1.34 0.00 0.00 72.50 70.25 1qgl s THR 103 CO -0.09 0.07 0.56 0.59 -0.54 0.00 0.00 174.62 175.21 1qgl n ASN 104 N 0.34 2.69 -4.69 3.99 4.13 -1.26 -3.50 115.26 116.96 1qgl n ASN 104 Ca 0.00 -3.16 -0.39 0.00 1.68 0.00 0.00 54.58 52.71 1qgl n ASN 104 Cb 0.52 -0.70 -0.06 0.00 -1.54 0.00 0.00 39.78 37.99 1qgl n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1qgl s THR 105 N -1.60 5.14 -0.23 3.41 2.01 -0.91 -2.14 115.64 121.32 1qgl s THR 105 Ca 0.31 0.96 -0.08 0.00 0.31 0.00 0.00 61.69 63.19 1qgl s THR 105 Cb 0.04 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1qgl s THR 105 CO -0.12 0.25 0.10 -0.63 -0.69 0.00 0.00 174.62 173.53 1qgl s ILE 106 N 1.16 4.79 -0.12 1.82 -1.09 0.13 -0.38 121.20 127.50 1qgl s ILE 106 Ca 0.25 -0.02 0.19 0.00 -2.23 0.00 0.00 60.65 58.84 1qgl s ILE 106 Cb -0.15 -3.22 -0.23 0.00 -1.58 0.00 0.00 42.46 37.28 1qgl s ILE 106 CO 0.10 0.37 0.49 0.18 -1.23 0.00 0.00 174.94 174.84 1qgl n LEU 107 N 4.38 0.31 -3.51 2.97 4.32 -0.06 -1.33 117.00 124.07 1qgl n LEU 107 Ca -0.16 0.13 -0.11 0.00 -0.02 0.00 0.00 56.01 55.85 1qgl n LEU 107 Cb 0.52 0.18 -0.03 0.00 -1.62 0.00 0.00 43.42 42.46 1qgl n LEU 107 CO 0.33 0.19 0.61 -0.94 -1.22 0.00 0.00 177.39 176.37 1qgl s SER 108 N -5.25 -0.46 -0.20 -1.43 1.04 -1.24 -4.49 113.70 101.68 1qgl s SER 108 Ca -0.07 0.23 -0.13 0.00 0.48 0.00 0.00 55.95 56.47 1qgl s SER 108 Cb 0.10 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.71 1qgl s SER 108 CO 0.85 -0.61 0.50 0.86 0.98 0.00 0.00 173.24 175.81 1qgl s TRP 109 N -2.39 -0.71 0.03 5.02 -0.00 0.01 -2.08 118.94 118.81 1qgl s TRP 109 Ca -0.00 1.52 0.01 0.00 -0.00 0.00 0.00 56.10 57.62 1qgl s TRP 109 Cb -0.01 0.35 -0.02 0.00 -0.00 0.00 0.00 33.47 33.79 1qgl s TRP 109 CO -0.04 -0.38 -0.05 -1.54 -0.00 0.00 0.00 176.95 174.95 1qgl s SER 110 N 1.24 0.50 -0.05 5.86 1.04 0.43 0.50 113.70 123.21 1qgl s SER 110 Ca -0.08 -0.53 -0.07 0.00 0.48 0.00 0.00 55.95 55.76 1qgl s SER 110 Cb -0.07 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.14 1qgl s SER 110 CO -0.12 -0.26 0.18 0.12 0.98 0.00 0.00 173.24 174.13 1qgl s PHE 111 N -1.45 -0.15 -0.00 5.02 5.36 -0.08 -1.18 117.98 125.50 1qgl s PHE 111 Ca -0.13 0.35 0.01 0.00 -0.96 0.00 0.00 56.93 56.19 1qgl s PHE 111 Cb -0.10 0.04 -0.00 0.00 -0.34 0.00 0.00 43.02 42.62 1qgl s PHE 111 CO -0.00 -0.15 -0.04 0.99 -1.46 0.00 0.00 175.22 174.56 1qgl s THR 112 N -0.26 0.30 -0.04 0.12 2.01 -0.26 -1.54 115.64 115.97 1qgl s THR 112 Ca -0.04 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 1qgl s THR 112 Cb -0.03 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.25 1qgl s THR 112 CO 0.01 0.07 0.08 -0.55 -0.69 0.00 0.00 174.62 173.54 1qgl s SER 113 N -0.12 0.04 0.01 3.53 0.15 -0.19 -0.38 113.70 116.74 1qgl s SER 113 Ca 0.01 0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.86 1qgl s SER 113 Cb -0.02 0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.33 1qgl s SER 113 CO -0.00 -0.14 -0.10 -0.54 1.20 0.00 0.00 173.24 173.65 1qgl s LYS 114 N 1.18 0.79 -0.19 5.44 1.02 0.84 -1.43 119.74 127.39 1qgl s LYS 114 Ca -0.08 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.43 1qgl s LYS 114 Cb -0.12 -0.75 0.04 0.00 -0.52 0.00 0.00 37.83 36.48 1qgl s LYS 114 CO -0.04 0.20 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.97 1qgl s LEU 115 N -0.57 2.16 -0.20 3.17 1.43 -0.10 -1.34 118.68 123.24 1qgl s LEU 115 Ca 0.02 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1qgl s LEU 115 Cb -0.05 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 1qgl s LEU 115 CO 0.00 -0.14 -0.01 -0.54 0.23 0.00 0.00 176.35 175.90 1qgl s LYS 116 N 1.42 3.57 0.52 1.70 1.02 -0.17 -0.57 119.74 127.23 1qgl s LYS 116 Ca -0.00 -0.54 0.07 0.00 0.02 0.00 0.00 55.97 55.52 1qgl s LYS 116 Cb -0.16 -3.06 0.07 0.00 -0.52 0.00 0.00 37.83 34.16 1qgl s LYS 116 CO -0.08 -0.03 0.61 0.45 -0.92 0.00 0.00 175.35 175.37 1qgl n SER 117 N 4.35 2.15 -1.28 2.83 2.88 -1.20 0.39 113.62 123.75 1qgl n SER 117 Ca -0.17 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 1qgl n SER 117 Cb 0.52 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1qgl n SER 117 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1qgl n ASN 118 N -2.20 3.51 -4.04 -3.46 4.13 -1.23 -4.63 115.26 107.35 1qgl n ASN 118 Ca 0.09 -1.94 -0.32 0.00 1.68 0.00 0.00 54.58 54.09 1qgl n ASN 118 Cb 0.55 -0.68 -0.15 0.00 -1.54 0.00 0.00 39.78 37.96 1qgl n ASN 118 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1qgl s SER 119 N 1.48 4.14 -0.54 6.41 0.01 -1.26 -5.05 113.70 118.89 1qgl s SER 119 Ca 0.00 -1.25 -0.29 0.00 1.31 0.00 0.00 55.95 55.71 1qgl s SER 119 Cb 0.00 -1.44 -0.15 0.00 0.21 0.00 0.00 66.02 64.64 1qgl s SER 119 CO 0.00 -0.18 1.80 0.35 0.41 0.00 0.00 173.24 175.62 1qgl n THR 120 N 4.52 0.00 -2.34 1.44 -2.24 -1.26 0.07 114.28 114.47 1qgl n THR 120 Ca -0.14 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.45 1qgl n THR 120 Cb 0.43 -0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 68.27 1qgl n THR 120 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1qgl n HIS 121 N 6.64 -0.88 -3.44 4.78 -0.00 -1.26 -4.98 115.22 116.08 1qgl n HIS 121 Ca 0.45 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 58.19 1qgl n HIS 121 Cb -0.01 -3.70 -0.04 0.00 -0.12 0.00 0.00 29.99 26.12 1qgl n HIS 121 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1qgl s GLU 122 N -4.91 3.32 -0.12 1.57 2.02 0.11 -5.05 118.70 115.64 1qgl s GLU 122 Ca 0.00 -2.50 -0.04 0.00 0.02 0.00 0.00 54.97 52.46 1qgl s GLU 122 Cb 0.00 -4.23 -0.03 0.00 0.10 0.00 0.00 34.13 29.97 1qgl s GLU 122 CO 0.00 -1.26 0.01 0.99 0.02 0.00 0.00 175.26 175.02 1qgl s THR 123 N 0.07 4.35 -0.10 3.63 2.01 -1.26 -3.22 115.64 121.11 1qgl s THR 123 Ca 0.18 -0.21 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 1qgl s THR 123 Cb -0.13 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1qgl s THR 123 CO -0.07 0.55 0.06 0.20 -0.69 0.00 0.00 174.62 174.67 1qgl s ASN 124 N -0.36 5.69 -0.01 3.53 -0.87 0.26 -4.97 114.94 118.21 1qgl s ASN 124 Ca 0.07 0.26 -0.15 0.00 -1.57 0.00 0.00 52.86 51.48 1qgl s ASN 124 Cb -0.12 -1.72 0.02 0.00 -0.02 0.00 0.00 41.25 39.41 1qgl s ASN 124 CO 0.02 0.38 0.31 0.00 -2.57 0.00 0.00 177.10 175.24 1qgl s ALA 125 N -0.87 -0.78 -0.01 0.60 0.00 -1.26 -0.92 121.76 118.51 1qgl s ALA 125 Ca 0.13 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1qgl s ALA 125 Cb -0.12 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1qgl s ALA 125 CO 0.03 -0.28 -0.05 -1.17 0.00 0.00 0.00 175.76 174.29 1qgl s LEU 126 N -1.44 1.80 -0.14 0.00 2.96 -0.51 -5.00 118.68 116.34 1qgl s LEU 126 Ca -0.12 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.61 1qgl s LEU 126 Cb -0.04 -0.30 0.05 0.00 0.50 0.00 0.00 46.19 46.39 1qgl s LEU 126 CO 0.03 0.03 0.34 -2.28 -1.32 0.00 0.00 176.35 173.14 1qgl s HIS 127 N 0.18 -0.45 0.02 5.38 5.65 -1.26 -1.02 115.29 123.78 1qgl s HIS 127 Ca -0.02 1.02 0.00 0.00 0.25 0.00 0.00 55.06 56.32 1qgl s HIS 127 Cb -0.06 0.16 -0.02 0.00 -1.18 0.00 0.00 32.58 31.49 1qgl s HIS 127 CO -0.00 -0.27 -0.03 -0.59 -0.65 0.00 0.00 174.74 173.20 1qgl s PHE 128 N 1.08 0.22 -0.04 3.88 -0.12 -0.59 -5.00 117.98 117.41 1qgl s PHE 128 Ca -0.07 -0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 56.39 1qgl s PHE 128 Cb -0.08 -0.15 0.03 0.00 -0.63 0.00 0.00 43.02 42.19 1qgl s PHE 128 CO -0.08 -0.14 0.07 1.41 -0.05 0.00 0.00 175.22 176.43 1qgl s MET 129 N -1.10 -0.06 -0.23 1.99 1.75 -1.26 -0.91 119.30 119.49 1qgl s MET 129 Ca -0.12 0.37 -0.03 0.00 -1.25 0.00 0.00 55.69 54.66 1qgl s MET 129 Cb -0.08 -0.43 0.01 0.00 2.84 0.00 0.00 34.83 37.17 1qgl s MET 129 CO -0.01 -0.30 -0.06 -0.06 -0.65 0.00 0.00 175.02 173.95 1qgl s PHE 130 N 1.97 2.99 -0.46 4.11 0.08 0.18 -4.93 117.98 121.93 1qgl s PHE 130 Ca 0.02 -1.21 0.09 0.00 0.12 0.00 0.00 56.93 55.96 1qgl s PHE 130 Cb -0.12 -2.08 -0.10 0.00 -0.57 0.00 0.00 43.02 40.14 1qgl s PHE 130 CO -0.03 -0.63 0.41 0.09 -0.10 0.00 0.00 175.22 174.95 1qgl n ASN 131 N 4.74 0.47 -3.73 1.36 3.02 -1.26 -0.80 115.26 119.06 1qgl n ASN 131 Ca -0.18 -0.73 -0.12 0.00 -0.03 0.00 0.00 54.58 53.52 1qgl n ASN 131 Cb 0.49 0.99 -0.12 0.00 -0.61 0.00 0.00 39.78 40.53 1qgl n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1qgl s GLN 132 N -1.89 0.29 0.08 3.52 0.74 -1.26 -4.75 119.66 116.39 1qgl s GLN 132 Ca 0.04 0.58 0.02 0.00 0.05 0.00 0.00 55.36 56.05 1qgl s GLN 132 Cb 0.07 -0.02 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 1qgl s GLN 132 CO 0.39 -0.13 0.14 -0.06 -0.55 0.00 0.00 175.29 175.07 1qgl s PHE 133 N 1.04 3.32 0.31 1.67 0.08 0.07 -5.05 117.98 119.42 1qgl s PHE 133 Ca -0.07 0.14 0.10 0.00 0.12 0.00 0.00 56.93 57.22 1qgl s PHE 133 Cb -0.08 -1.67 -0.06 0.00 -0.57 0.00 0.00 43.02 40.65 1qgl s PHE 133 CO -0.08 0.55 -0.11 -1.54 -0.10 0.00 0.00 175.22 173.94 1qgl s SER 134 N -2.50 3.81 0.30 1.36 1.04 -1.26 -4.37 113.70 112.08 1qgl s SER 134 Ca 0.32 -1.05 0.06 0.00 0.48 0.00 0.00 55.95 55.76 1qgl s SER 134 Cb -0.12 -0.40 0.77 0.00 0.10 0.00 0.00 66.02 66.37 1qgl s SER 134 CO 0.25 -0.09 1.73 0.50 0.98 0.00 0.00 173.24 176.60 1qgl h LYS 135 N 2.08 0.54 -3.43 4.02 3.64 -1.87 -3.13 116.57 118.42 1qgl h LYS 135 Ca -0.41 -0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.29 1qgl h LYS 135 Cb 1.25 -0.12 -0.41 0.00 -0.41 0.00 0.00 32.23 32.54 1qgl h LYS 135 CO 0.65 0.35 -0.64 0.34 -2.27 0.00 0.00 179.45 177.88 1qgl s ASP 136 N -5.25 4.29 -1.12 4.20 2.15 -1.26 -4.75 116.67 114.94 1qgl s ASP 136 Ca -0.11 -2.94 -0.12 0.00 0.43 0.00 0.00 52.55 49.80 1qgl s ASP 136 Cb 0.26 -1.60 0.21 0.00 -0.30 0.00 0.00 42.92 41.49 1qgl s ASP 136 CO 0.79 -0.24 1.23 -1.58 -0.17 0.00 0.00 175.17 175.20 1qgl s GLN 137 N -0.19 4.06 0.00 4.34 2.00 -1.18 -4.89 119.66 123.80 1qgl s GLN 137 Ca 0.17 -2.76 0.05 0.00 -2.00 0.00 0.00 55.36 50.82 1qgl s GLN 137 Cb -0.26 -4.80 0.23 0.00 0.80 0.00 0.00 33.01 28.99 1qgl s GLN 137 CO -0.00 -1.52 1.15 1.63 -0.50 0.00 0.00 175.29 176.05 1qgl n LYS 138 N 4.42 0.01 -0.74 1.67 5.02 -1.26 -2.19 118.16 125.09 1qgl n LYS 138 Ca 0.29 0.39 0.08 0.00 -2.02 0.00 0.00 58.31 57.04 1qgl n LYS 138 Cb 0.42 -1.50 0.36 0.00 -0.02 0.00 0.00 35.03 34.29 1qgl n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1qgl n ASP 139 N -1.48 5.14 -4.09 4.39 5.75 -1.26 -4.89 116.55 120.10 1qgl n ASP 139 Ca 0.01 -2.90 -0.22 0.00 -0.01 0.00 0.00 54.79 51.68 1qgl n ASP 139 Cb 0.06 -0.63 -0.15 0.00 -1.03 0.00 0.00 41.12 39.37 1qgl n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1qgl s LEU 140 N -2.67 1.99 -0.36 -2.12 1.43 -0.93 -0.65 118.68 115.37 1qgl s LEU 140 Ca 0.51 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.23 1qgl s LEU 140 Cb 0.39 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.89 1qgl s LEU 140 CO 0.15 0.16 0.25 -0.63 0.23 0.00 0.00 176.35 176.50 1qgl s ILE 141 N -0.23 5.11 -0.13 -0.59 1.01 0.18 -4.84 121.20 121.72 1qgl s ILE 141 Ca 0.03 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 1qgl s ILE 141 Cb -0.06 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1qgl s ILE 141 CO -0.00 -0.12 0.40 -0.76 0.00 0.00 0.00 174.94 174.45 1qgl s LEU 142 N 1.68 4.28 0.15 2.97 1.43 -1.26 -0.79 118.68 127.13 1qgl s LEU 142 Ca 0.05 0.70 0.08 0.00 -1.03 0.00 0.00 54.13 53.93 1qgl s LEU 142 Cb -0.18 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1qgl s LEU 142 CO 0.09 0.07 -0.18 -1.10 0.23 0.00 0.00 176.35 175.46 1qgl s GLN 143 N 0.44 1.23 5.82 1.70 -0.21 0.09 -4.99 119.66 123.73 1qgl s GLN 143 Ca 0.22 -1.35 0.00 0.00 0.02 0.00 0.00 55.36 54.25 1qgl s GLN 143 Cb -0.14 -1.30 0.00 0.00 1.00 0.00 0.00 33.01 32.57 1qgl s GLN 143 CO 0.08 0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.93 1qgl n GLY 144 N 0.45 2.48 0.27 3.09 0.00 -1.26 -1.53 105.19 108.69 1qgl n GLY 144 Ca -0.14 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.56 1qgl n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qgl n ASP 145 N 2.16 0.82 -4.73 1.61 8.00 0.71 -4.92 116.55 120.20 1qgl n ASP 145 Ca 0.00 -1.35 -0.42 0.00 0.71 0.00 0.00 54.79 53.73 1qgl n ASP 145 Cb 0.00 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 1qgl n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qgl n ALA 146 N -0.33 1.88 -2.61 2.24 0.00 -1.16 -4.46 120.51 116.07 1qgl n ALA 146 Ca 0.20 0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.91 1qgl n ALA 146 Cb 0.23 -2.35 -0.08 0.00 0.00 0.00 0.00 19.45 17.25 1qgl n ALA 146 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1qgl s THR 147 N -0.71 0.14 0.43 0.00 -4.23 -0.14 -4.77 115.64 106.36 1qgl s THR 147 Ca 0.58 -1.14 0.03 0.00 -1.18 0.00 0.00 61.69 59.99 1qgl s THR 147 Cb -0.54 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 1qgl s THR 147 CO 0.58 -0.63 0.11 0.42 -0.54 0.00 0.00 174.62 174.56 1qgl s THR 148 N -3.51 0.71 0.00 3.99 -4.23 -1.26 -0.31 115.64 111.03 1qgl s THR 148 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1qgl s THR 148 Cb 0.03 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1qgl s THR 148 CO -0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1qgl n GLY 149 N -0.97 2.84 3.56 3.99 0.00 -1.16 -4.63 105.19 108.81 1qgl n GLY 149 Ca -0.08 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1qgl n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qgl s THR 150 N -2.02 3.28 -1.03 2.61 2.01 -1.26 -2.52 115.64 116.72 1qgl s THR 150 Ca 0.00 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1qgl s THR 150 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1qgl s THR 150 CO 0.00 -0.64 0.00 0.47 -0.69 0.00 0.00 174.62 173.76 1qgl n ASP 151 N 14.83 -4.23 -0.01 3.53 8.00 -1.26 -2.38 116.55 135.02 1qgl n ASP 151 Ca 0.36 0.24 -0.00 0.00 0.71 0.00 0.00 54.79 56.10 1qgl n ASP 151 Cb 0.48 -2.59 -0.00 0.00 -0.02 0.00 0.00 41.12 39.00 1qgl n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qgl n GLY 152 N -1.71 0.44 3.95 0.44 0.00 -1.05 -4.98 105.19 102.28 1qgl n GLY 152 Ca -0.10 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 1qgl n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qgl s ASN 153 N -2.05 5.47 -0.25 1.61 0.01 -1.00 -0.75 114.94 117.97 1qgl s ASN 153 Ca 0.00 -0.50 -0.06 0.00 -0.71 0.00 0.00 52.86 51.59 1qgl s ASN 153 Cb 0.00 -0.75 -0.01 0.00 0.41 0.00 0.00 41.25 40.90 1qgl s ASN 153 CO 0.00 -0.63 0.04 -0.22 -1.51 0.00 0.00 177.10 174.78 1qgl s LEU 154 N -4.22 3.41 -0.43 0.60 2.96 -0.44 -2.97 118.68 117.60 1qgl s LEU 154 Ca 0.50 -0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 53.87 1qgl s LEU 154 Cb -0.07 -1.86 0.04 0.00 0.50 0.00 0.00 46.19 44.80 1qgl s LEU 154 CO 0.30 -0.08 0.31 -1.61 -1.32 0.00 0.00 176.35 173.96 1qgl s GLU 155 N 1.55 2.92 0.35 1.98 0.41 0.58 -0.69 118.70 125.78 1qgl s GLU 155 Ca 0.05 -1.18 0.15 0.00 -0.41 0.00 0.00 54.97 53.58 1qgl s GLU 155 Cb -0.15 -3.97 0.64 0.00 -1.78 0.00 0.00 34.13 28.86 1qgl s GLU 155 CO 0.01 -0.85 1.75 -0.07 -0.49 0.00 0.00 175.26 175.61 1qgl h LEU 156 N 8.62 0.00 -8.91 1.80 3.38 -1.69 -0.34 115.31 118.17 1qgl h LEU 156 Ca -0.27 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.29 1qgl h LEU 156 Cb 1.11 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.72 1qgl h LEU 156 CO 0.77 0.44 -0.69 0.42 0.09 0.00 0.00 178.44 179.47 1qgl s THR 157 N -3.84 1.34 0.27 0.22 -4.23 -1.26 -2.88 115.64 105.26 1qgl s THR 157 Ca -0.02 -2.09 -0.31 0.00 -1.18 0.00 0.00 61.69 58.10 1qgl s THR 157 Cb 0.13 -2.23 -0.12 0.00 1.34 0.00 0.00 72.50 71.62 1qgl s THR 157 CO 0.72 -0.44 1.65 -0.60 -0.54 0.00 0.00 174.62 175.40 1qgl s ARG 158 N -3.77 4.11 -0.03 3.99 3.52 -1.26 -4.79 118.95 120.72 1qgl s ARG 158 Ca 0.25 2.61 0.02 0.00 -0.13 0.00 0.00 55.73 58.49 1qgl s ARG 158 Cb 0.03 -3.03 0.01 0.00 -1.56 0.00 0.00 34.95 30.40 1qgl s ARG 158 CO 0.08 -0.69 -0.07 0.08 -0.81 0.00 0.00 175.30 173.89 1qgl s VAL 159 N 0.36 0.66 0.72 7.11 1.01 -1.26 -2.41 120.40 126.59 1qgl s VAL 159 Ca 0.67 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.26 1qgl s VAL 159 Cb -0.49 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.31 1qgl s VAL 159 CO 0.43 0.22 1.10 -0.94 0.00 0.00 0.00 175.10 175.91 1qgl s SER 160 N 0.29 5.28 0.30 3.32 1.04 -0.03 -4.88 113.70 119.03 1qgl s SER 160 Ca -0.04 1.03 0.03 0.00 0.48 0.00 0.00 55.95 57.44 1qgl s SER 160 Cb -0.09 -1.78 0.76 0.00 0.10 0.00 0.00 66.02 65.02 1qgl s SER 160 CO 0.00 -1.43 1.60 0.77 0.98 0.00 0.00 173.24 175.17 1qgl h SER 161 N -0.69 -0.22 0.00 7.02 4.64 -2.02 0.62 113.55 122.90 1qgl h SER 161 Ca -0.45 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1qgl h SER 161 Cb 1.27 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1qgl h SER 161 CO 0.64 -0.28 0.00 -0.46 -0.87 0.00 0.00 176.83 175.86 1qgl n ASN 162 N -5.36 0.46 0.00 4.97 0.23 -1.26 -4.87 115.26 109.43 1qgl n ASN 162 Ca 0.23 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.31 1qgl n ASN 162 Cb 0.75 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 1qgl n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qgl n GLY 163 N 0.26 0.49 3.81 4.83 0.00 0.22 -5.03 105.19 109.77 1qgl n GLY 163 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1qgl n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qgl s SER 164 N -2.10 6.80 0.84 1.61 1.04 -1.25 -4.79 113.70 115.86 1qgl s SER 164 Ca 0.00 0.95 -0.10 0.00 0.48 0.00 0.00 55.95 57.28 1qgl s SER 164 Cb 0.00 -2.26 0.10 0.00 0.10 0.00 0.00 66.02 63.96 1qgl s SER 164 CO 0.00 0.27 1.11 -2.16 0.98 0.00 0.00 173.24 173.43 1qgl s PRO 165 N -0.78 1.66 0.15 4.02 0.04 -1.26 -0.85 135.00 137.98 1qgl s PRO 165 Ca 0.24 1.26 0.07 0.00 0.04 0.00 0.00 61.00 62.61 1qgl s PRO 165 Cb -0.17 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1qgl s PRO 165 CO 0.13 -2.09 -0.15 -0.65 0.04 0.00 0.00 177.00 174.28 1qgl s GLN 166 N -4.81 1.14 0.69 4.56 -0.21 -1.01 -4.83 119.66 115.19 1qgl s GLN 166 Ca 0.63 -1.35 -0.05 0.00 0.02 0.00 0.00 55.36 54.61 1qgl s GLN 166 Cb -0.19 -1.04 0.07 0.00 1.00 0.00 0.00 33.01 32.84 1qgl s GLN 166 CO 0.57 0.20 0.98 0.20 -2.12 0.00 0.00 175.29 175.12 1qgl s GLY 167 N -2.69 1.72 -1.48 3.09 0.00 -1.26 -4.37 107.32 102.33 1qgl s GLY 167 Ca 0.13 -1.07 -0.06 0.00 0.00 0.00 0.00 44.72 43.73 1qgl s GLY 167 CO 0.04 -0.65 0.59 1.44 0.00 0.00 0.00 173.10 174.52 1qgl n SER 168 N -2.85 -1.55 -4.37 1.64 7.64 -0.23 -4.89 113.62 109.02 1qgl n SER 168 Ca 0.09 -0.97 -0.31 0.00 1.01 0.00 0.00 58.87 58.69 1qgl n SER 168 Cb 0.60 -3.16 -0.15 0.00 -1.01 0.00 0.00 64.21 60.50 1qgl n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1qgl s SER 169 N -4.01 3.33 -0.09 6.43 0.15 -1.08 -4.95 113.70 113.47 1qgl s SER 169 Ca 0.24 -0.48 -0.07 0.00 0.70 0.00 0.00 55.95 56.34 1qgl s SER 169 Cb -0.13 -0.42 0.03 0.00 -1.71 0.00 0.00 66.02 63.80 1qgl s SER 169 CO 0.88 0.29 0.23 0.54 1.20 0.00 0.00 173.24 176.39 1qgl s VAL 170 N -0.76 -0.02 -0.01 4.45 0.11 -1.26 -0.39 120.40 122.52 1qgl s VAL 170 Ca 0.12 0.07 -0.21 0.00 -2.93 0.00 0.00 61.98 59.03 1qgl s VAL 170 Cb -0.10 -0.35 0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1qgl s VAL 170 CO 0.01 0.03 0.45 -0.83 -3.33 0.00 0.00 175.10 171.44 1qgl s GLY 171 N 0.68 -0.32 0.04 6.54 0.00 -0.95 -0.21 107.32 113.11 1qgl s GLY 171 Ca -0.05 0.62 -0.02 0.00 0.00 0.00 0.00 44.72 45.27 1qgl s GLY 171 CO -0.04 0.35 0.02 0.50 0.00 0.00 0.00 173.10 173.93 1qgl s ARG 172 N -1.62 0.53 -0.09 2.90 0.52 -0.58 -2.08 118.95 118.54 1qgl s ARG 172 Ca -0.10 -0.90 -0.02 0.00 -0.52 0.00 0.00 55.73 54.19 1qgl s ARG 172 Cb -0.02 0.19 0.03 0.00 0.52 0.00 0.00 34.95 35.67 1qgl s ARG 172 CO 0.04 -0.11 0.01 0.00 0.02 0.00 0.00 175.30 175.26 1qgl s ALA 173 N -2.85 0.73 -0.01 2.13 0.00 -0.37 -0.73 121.76 120.65 1qgl s ALA 173 Ca -0.03 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 51.79 1qgl s ALA 173 Cb 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1qgl s ALA 173 CO -0.06 -0.55 -0.17 -0.51 0.00 0.00 0.00 175.76 174.48 1qgl s LEU 174 N 1.96 2.63 0.25 0.00 1.02 0.03 -1.53 118.68 123.05 1qgl s LEU 174 Ca 0.04 -0.30 -0.30 0.00 0.02 0.00 0.00 54.13 53.59 1qgl s LEU 174 Cb -0.13 -1.53 -0.10 0.00 0.02 0.00 0.00 46.19 44.45 1qgl s LEU 174 CO -0.06 0.31 1.39 0.12 0.02 0.00 0.00 176.35 178.13 1qgl s PHE 175 N -0.79 3.08 0.28 0.29 5.36 -0.76 0.51 117.98 125.94 1qgl s PHE 175 Ca 0.13 1.13 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 1qgl s PHE 175 Cb -0.11 -3.75 0.60 0.00 -0.34 0.00 0.00 43.02 39.43 1qgl s PHE 175 CO 0.02 -2.36 1.77 -0.92 -1.46 0.00 0.00 175.22 172.27 1qgl h TYR 176 N 4.88 0.89 -3.19 10.12 3.20 -1.21 -3.44 116.97 128.23 1qgl h TYR 176 Ca -0.46 0.03 -0.58 0.00 3.14 0.00 0.00 58.73 60.86 1qgl h TYR 176 Cb 1.22 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 39.18 1qgl h TYR 176 CO 0.60 0.22 -0.08 0.00 -1.64 0.00 0.00 178.16 177.26 1qgl s ALA 177 N -5.93 3.61 0.55 1.82 0.00 -1.26 -5.01 121.76 115.53 1qgl s ALA 177 Ca -0.12 -0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.60 1qgl s ALA 177 Cb 0.23 -2.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 1qgl s ALA 177 CO 0.79 0.39 1.26 -2.14 0.00 0.00 0.00 175.76 176.06 1qgl s PRO 178 N -0.96 3.18 -0.11 0.00 0.02 -1.26 -4.81 135.00 131.06 1qgl s PRO 178 Ca 0.28 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1qgl s PRO 178 Cb -0.19 -2.15 -0.02 0.00 0.02 0.00 0.00 34.50 32.16 1qgl s PRO 178 CO 0.17 -1.08 -0.11 0.08 -0.33 0.00 0.00 177.00 175.73 1qgl s VAL 179 N -1.46 3.29 -0.88 3.83 1.01 0.17 -4.92 120.40 121.44 1qgl s VAL 179 Ca 0.73 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 1qgl s VAL 179 Cb -0.34 -2.37 0.11 0.00 0.00 0.00 0.00 36.38 33.78 1qgl s VAL 179 CO 0.39 0.55 1.11 -2.28 0.00 0.00 0.00 175.10 174.87 1qgl s HIS 180 N -0.06 2.99 0.15 5.22 2.46 -1.26 -1.31 115.29 123.48 1qgl s HIS 180 Ca -0.01 -1.18 0.09 0.00 0.47 0.00 0.00 55.06 54.43 1qgl s HIS 180 Cb -0.14 -4.31 0.03 0.00 -0.13 0.00 0.00 32.58 28.04 1qgl s HIS 180 CO 0.03 -1.55 1.42 0.97 -2.47 0.00 0.00 174.74 173.15 1qgl h ILE 181 N 5.93 1.54 -3.55 0.89 6.09 -1.70 -3.46 117.51 123.25 1qgl h ILE 181 Ca 0.06 -2.84 -0.05 0.00 -1.37 0.00 0.00 64.86 60.67 1qgl h ILE 181 Cb 1.03 2.55 -0.10 0.00 0.47 0.00 0.00 36.82 40.78 1qgl h ILE 181 CO 1.14 0.80 -0.09 -1.66 -3.07 0.00 0.00 178.15 175.27 1qgl s TRP 182 N -3.06 0.19 -0.28 2.19 1.48 -1.23 -4.75 118.94 113.48 1qgl s TRP 182 Ca 0.00 -0.55 -0.16 0.00 -1.06 0.00 0.00 56.10 54.34 1qgl s TRP 182 Cb 0.11 0.24 0.10 0.00 -1.16 0.00 0.00 33.47 32.76 1qgl s TRP 182 CO 0.79 -0.93 0.78 -2.00 -4.06 0.00 0.00 176.95 171.53 1qgl s GLU 183 N -3.96 0.60 0.48 3.25 2.12 -1.26 -4.78 118.70 115.15 1qgl s GLU 183 Ca 0.17 1.05 0.26 0.00 0.36 0.00 0.00 54.97 56.81 1qgl s GLU 183 Cb -0.00 0.15 1.31 0.00 0.26 0.00 0.00 34.13 35.85 1qgl s GLU 183 CO 0.04 -0.13 1.84 0.66 -0.54 0.00 0.00 175.26 177.13 1qgl h SER 184 N 6.76 0.20 -0.15 -1.70 4.64 -2.02 -0.19 113.55 121.09 1qgl h SER 184 Ca -0.29 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1qgl h SER 184 Cb 1.21 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1qgl h SER 184 CO 0.17 0.06 0.00 -1.54 -0.87 0.00 0.00 176.83 174.65 1qgl n SER 185 N -4.39 1.56 -4.73 4.97 3.41 -1.26 -4.92 113.62 108.26 1qgl n SER 185 Ca 0.21 -1.69 -0.41 0.00 -0.26 0.00 0.00 58.87 56.73 1qgl n SER 185 Cb 0.93 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.74 1qgl n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qgl s ALA 186 N -1.81 3.31 0.06 7.33 0.00 -0.08 -3.53 121.76 127.04 1qgl s ALA 186 Ca 0.32 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 1qgl s ALA 186 Cb 0.17 -3.34 -0.29 0.00 0.00 0.00 0.00 23.12 19.66 1qgl s ALA 186 CO 0.26 -0.18 1.10 0.28 0.00 0.00 0.00 175.76 177.22 1qgl h VAL 187 N 4.04 1.30 -2.85 0.00 2.07 -0.32 -3.46 116.25 117.03 1qgl h VAL 187 Ca -0.43 -2.54 -0.14 0.00 0.82 0.00 0.00 66.70 64.41 1qgl h VAL 187 Cb 1.21 2.75 -0.26 0.00 -1.52 0.00 0.00 31.29 33.48 1qgl h VAL 187 CO 0.74 0.77 -0.34 0.54 0.02 0.00 0.00 177.57 179.30 1qgl s VAL 188 N -2.91 -0.01 -0.02 2.57 0.11 -1.05 -4.85 120.40 114.23 1qgl s VAL 188 Ca -0.09 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 1qgl s VAL 188 Cb 0.06 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1qgl s VAL 188 CO 0.93 0.02 -0.14 0.00 -3.33 0.00 0.00 175.10 172.58 1qgl s ALA 189 N 0.74 1.19 0.13 1.54 0.00 -1.26 -1.00 121.76 123.11 1qgl s ALA 189 Ca -0.05 -0.58 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 1qgl s ALA 189 Cb -0.06 -0.34 0.06 0.00 0.00 0.00 0.00 23.12 22.78 1qgl s ALA 189 CO -0.05 0.26 0.54 -1.54 0.00 0.00 0.00 175.76 174.97 1qgl s SER 190 N -0.17 -0.46 0.08 0.00 1.04 -0.45 0.24 113.70 113.99 1qgl s SER 190 Ca 0.02 -0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.28 1qgl s SER 190 Cb -0.07 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1qgl s SER 190 CO 0.00 -0.90 0.26 0.72 0.98 0.00 0.00 173.24 174.30 1qgl s PHE 191 N -3.58 0.02 -0.06 5.02 -0.12 -0.68 -0.12 117.98 118.46 1qgl s PHE 191 Ca 0.01 -0.36 -0.05 0.00 -0.05 0.00 0.00 56.93 56.48 1qgl s PHE 191 Cb -0.00 0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.45 1qgl s PHE 191 CO -0.11 -0.56 0.14 -2.00 -0.05 0.00 0.00 175.22 172.64 1qgl s GLU 192 N -3.52 0.15 0.01 1.99 2.12 0.49 -2.28 118.70 117.67 1qgl s GLU 192 Ca 0.02 0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.60 1qgl s GLU 192 Cb 0.03 0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 1qgl s GLU 192 CO -0.09 -0.04 -0.08 0.00 -0.54 0.00 0.00 175.26 174.50 1qgl s ALA 193 N 0.23 0.67 -0.04 6.30 0.00 0.25 -1.10 121.76 128.08 1qgl s ALA 193 Ca -0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 1qgl s ALA 193 Cb -0.02 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1qgl s ALA 193 CO -0.01 0.13 0.09 0.99 0.00 0.00 0.00 175.76 176.97 1qgl s THR 194 N -0.45 -0.01 -0.03 0.00 2.01 -0.32 -0.28 115.64 116.56 1qgl s THR 194 Ca 0.01 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.86 1qgl s THR 194 Cb -0.05 -0.14 0.04 0.00 0.01 0.00 0.00 72.50 72.36 1qgl s THR 194 CO 0.00 0.02 0.41 0.72 -0.69 0.00 0.00 174.62 175.08 1qgl s PHE 195 N 0.31 -0.32 -0.05 4.92 -0.71 -0.89 -0.43 117.98 120.80 1qgl s PHE 195 Ca -0.02 0.53 0.02 0.00 -1.04 0.00 0.00 56.93 56.41 1qgl s PHE 195 Cb -0.03 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 1qgl s PHE 195 CO -0.01 -0.44 -0.08 0.95 -1.34 0.00 0.00 175.22 174.30 1qgl s THR 196 N -1.22 3.60 0.16 -4.49 -4.23 -0.89 -1.24 115.64 107.34 1qgl s THR 196 Ca -0.12 -0.56 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1qgl s THR 196 Cb -0.04 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 1qgl s THR 196 CO 0.06 0.56 -0.02 0.72 -0.54 0.00 0.00 174.62 175.39 1qgl s PHE 197 N -0.83 1.18 -0.22 3.99 -0.71 -0.30 -0.88 117.98 120.21 1qgl s PHE 197 Ca 0.13 -0.96 -0.03 0.00 -1.04 0.00 0.00 56.93 55.03 1qgl s PHE 197 Cb -0.11 -0.67 0.07 0.00 -1.21 0.00 0.00 43.02 41.11 1qgl s PHE 197 CO 0.02 -0.15 0.07 -1.17 -1.34 0.00 0.00 175.22 172.66 1qgl s LEU 198 N -3.16 1.00 -0.29 -1.99 2.96 0.49 -0.59 118.68 117.10 1qgl s LEU 198 Ca 0.21 -0.94 -0.07 0.00 -0.22 0.00 0.00 54.13 53.10 1qgl s LEU 198 Cb 0.05 -0.50 0.00 0.00 0.50 0.00 0.00 46.19 46.25 1qgl s LEU 198 CO 0.02 -0.35 0.09 -0.63 -1.32 0.00 0.00 176.35 174.16 1qgl s ILE 199 N 1.94 4.08 -0.04 6.68 1.01 -1.26 -2.15 121.20 131.46 1qgl s ILE 199 Ca 0.03 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.11 1qgl s ILE 199 Cb -0.17 -3.08 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 1qgl s ILE 199 CO -0.15 0.10 -0.16 -0.75 0.00 0.00 0.00 174.94 173.98 1qgl s LYS 200 N 1.53 1.72 -0.02 2.79 2.20 -1.23 -1.69 119.74 125.04 1qgl s LYS 200 Ca 0.03 -0.58 0.03 0.00 -0.36 0.00 0.00 55.97 55.09 1qgl s LYS 200 Cb -0.17 -1.50 -0.00 0.00 -1.51 0.00 0.00 37.83 34.65 1qgl s LYS 200 CO 0.03 0.23 -0.11 0.45 -0.36 0.00 0.00 175.35 175.59 1qgl s SER 201 N 0.07 1.32 0.43 1.43 0.15 -1.26 -0.91 113.70 114.93 1qgl s SER 201 Ca -0.04 -0.20 0.16 0.00 0.70 0.00 0.00 55.95 56.57 1qgl s SER 201 Cb -0.11 -0.26 0.98 0.00 -1.71 0.00 0.00 66.02 64.92 1qgl s SER 201 CO 0.02 0.11 1.94 -0.65 1.20 0.00 0.00 173.24 175.85 1qgl h PRO 202 N 6.13 0.00 0.00 5.44 0.11 -1.97 -3.45 132.00 138.26 1qgl h PRO 202 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1qgl h PRO 202 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1qgl h PRO 202 CO 0.49 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 1qgl n ASP 203 N -4.08 0.41 -0.91 -2.05 5.75 -1.26 -5.04 116.55 109.38 1qgl n ASP 203 Ca -0.02 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.84 1qgl n ASP 203 Cb 0.31 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.66 1qgl n ASP 203 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1qgl n SER 204 N 0.00 3.89 -3.47 -1.12 3.41 -1.26 -4.76 113.62 110.31 1qgl n SER 204 Ca 0.00 -2.97 -0.27 0.00 -0.26 0.00 0.00 58.87 55.37 1qgl n SER 204 Cb 0.00 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 63.31 1qgl n SER 204 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1qgl n HIS 205 N -0.44 -0.02 -2.50 7.33 8.25 -1.26 -5.12 115.22 121.46 1qgl n HIS 205 Ca 0.21 -3.53 -0.34 0.00 -0.26 0.00 0.00 57.72 53.80 1qgl n HIS 205 Cb 0.88 0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.99 1qgl n HIS 205 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 1qgl s PRO 206 N -0.39 3.74 -0.07 -0.41 0.02 -1.26 -4.34 135.00 132.29 1qgl s PRO 206 Ca 0.32 1.38 -0.31 0.00 0.02 0.00 0.00 61.00 62.41 1qgl s PRO 206 Cb 0.04 -2.08 0.08 0.00 0.02 0.00 0.00 34.50 32.56 1qgl s PRO 206 CO -0.18 -0.48 0.74 0.00 -0.33 0.00 0.00 177.00 176.74 1qgl s ALA 207 N -1.97 -1.80 -0.01 -1.55 0.00 -1.24 -3.91 121.76 111.28 1qgl s ALA 207 Ca 0.68 1.38 0.05 0.00 0.00 0.00 0.00 51.96 54.06 1qgl s ALA 207 Cb -0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.73 1qgl s ALA 207 CO 0.21 -0.36 0.11 -0.25 0.00 0.00 0.00 175.76 175.47 1qgl n ASP 208 N 0.90 3.87 0.00 0.00 8.00 0.14 -2.57 116.55 126.89 1qgl n ASP 208 Ca -0.17 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1qgl n ASP 208 Cb 0.57 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.90 1qgl n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qgl n GLY 209 N 2.22 2.20 3.40 0.44 0.00 -1.23 -2.12 105.19 110.09 1qgl n GLY 209 Ca -0.01 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 1qgl n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qgl s ILE 210 N -1.57 2.22 -0.08 -0.61 1.01 -0.69 -2.69 121.20 118.79 1qgl s ILE 210 Ca 0.00 -1.95 -0.10 0.00 0.00 0.00 0.00 60.65 58.61 1qgl s ILE 210 Cb 0.00 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.46 1qgl s ILE 210 CO 0.00 -0.12 0.25 0.00 0.00 0.00 0.00 174.94 175.07 1qgl s ALA 211 N -1.62 -0.62 -0.15 9.38 0.00 0.22 0.48 121.76 129.45 1qgl s ALA 211 Ca 0.18 0.58 -0.09 0.00 0.00 0.00 0.00 51.96 52.63 1qgl s ALA 211 Cb -0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1qgl s ALA 211 CO 0.08 -0.15 0.16 0.12 0.00 0.00 0.00 175.76 175.97 1qgl s PHE 212 N -0.23 3.51 0.09 0.00 5.36 -0.50 0.16 117.98 126.38 1qgl s PHE 212 Ca -0.03 0.47 -0.06 0.00 -0.96 0.00 0.00 56.93 56.34 1qgl s PHE 212 Cb -0.03 -2.08 -0.02 0.00 -0.34 0.00 0.00 43.02 40.55 1qgl s PHE 212 CO 0.01 0.50 0.13 -0.59 -1.46 0.00 0.00 175.22 173.81 1qgl s PHE 213 N -0.30 0.36 -0.09 10.12 -0.71 0.08 -1.27 117.98 126.16 1qgl s PHE 213 Ca 0.12 -0.81 0.02 0.00 -1.04 0.00 0.00 56.93 55.23 1qgl s PHE 213 Cb -0.12 -0.19 0.01 0.00 -1.21 0.00 0.00 43.02 41.51 1qgl s PHE 213 CO 0.02 -0.52 -0.15 0.42 -1.34 0.00 0.00 175.22 173.64 1qgl s ILE 214 N -3.91 1.41 0.32 -4.49 1.01 -0.25 -1.01 121.20 114.28 1qgl s ILE 214 Ca 0.09 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1qgl s ILE 214 Cb 0.06 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1qgl s ILE 214 CO -0.08 0.42 0.27 -0.94 0.00 0.00 0.00 174.94 174.62 1qgl s SER 215 N 0.76 1.60 0.59 3.58 1.04 -0.53 -1.94 113.70 118.79 1qgl s SER 215 Ca -0.12 -1.74 -0.18 0.00 0.48 0.00 0.00 55.95 54.39 1qgl s SER 215 Cb -0.16 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1qgl s SER 215 CO 0.02 -1.06 1.15 0.54 0.98 0.00 0.00 173.24 174.88 1qgl s ASN 216 N -3.36 5.38 0.28 7.02 4.22 -1.22 -1.47 114.94 125.78 1qgl s ASN 216 Ca 0.41 2.20 0.01 0.00 -2.14 0.00 0.00 52.86 53.34 1qgl s ASN 216 Cb 0.03 -2.58 0.64 0.00 1.28 0.00 0.00 41.25 40.62 1qgl s ASN 216 CO 0.27 -1.46 1.69 0.40 -2.04 0.00 0.00 177.10 175.96 1qgl h ILE 217 N 0.79 0.48 -0.34 0.54 2.04 -1.85 -2.33 117.51 116.84 1qgl h ILE 217 Ca -0.49 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1qgl h ILE 217 Cb 1.27 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1qgl h ILE 217 CO 0.55 0.06 0.00 -0.90 0.00 0.00 0.00 178.15 177.87 1qgl n ASP 218 N -5.09 3.28 -4.73 1.72 5.75 -1.26 -4.80 116.55 111.42 1qgl n ASP 218 Ca 0.20 -2.39 -0.40 0.00 -0.01 0.00 0.00 54.79 52.19 1qgl n ASP 218 Cb 0.59 -0.53 0.03 0.00 -1.03 0.00 0.00 41.12 40.18 1qgl n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1qgl n SER 219 N 0.43 2.70 -4.04 -1.12 2.88 -0.88 -5.04 113.62 108.56 1qgl n SER 219 Ca 0.15 1.04 -0.10 0.00 -1.33 0.00 0.00 58.87 58.64 1qgl n SER 219 Cb 0.67 -1.55 -0.08 0.00 -0.75 0.00 0.00 64.21 62.50 1qgl n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1qgl s SER 220 N -0.70 0.15 0.04 -3.46 1.04 -1.26 -5.07 113.70 104.43 1qgl s SER 220 Ca 0.66 -1.03 -0.31 0.00 0.48 0.00 0.00 55.95 55.76 1qgl s SER 220 Cb -0.45 0.38 -0.10 0.00 0.10 0.00 0.00 66.02 65.96 1qgl s SER 220 CO 0.54 -0.83 1.95 -0.38 0.98 0.00 0.00 173.24 175.49 1qgl n ILE 221 N -0.17 0.70 -1.90 -1.02 5.41 -1.26 -4.94 119.36 116.17 1qgl n ILE 221 Ca -0.06 -0.13 -0.38 0.00 1.00 0.00 0.00 62.75 63.19 1qgl n ILE 221 Cb 0.63 -2.26 0.03 0.00 -0.71 0.00 0.00 39.64 37.34 1qgl n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1qgl s PRO 222 N 4.16 3.19 0.32 0.38 0.02 -1.26 -4.92 135.00 136.89 1qgl s PRO 222 Ca 0.88 2.08 -0.29 0.00 0.02 0.00 0.00 61.00 63.69 1qgl s PRO 222 Cb -0.46 -2.21 -0.10 0.00 0.02 0.00 0.00 34.50 31.74 1qgl s PRO 222 CO 0.42 -1.10 1.37 0.45 -0.33 0.00 0.00 177.00 177.81 1qgl s SER 223 N -1.15 6.68 -1.32 2.53 0.15 -1.26 -3.09 113.70 116.23 1qgl s SER 223 Ca 0.72 2.74 -0.04 0.00 0.70 0.00 0.00 55.95 60.06 1qgl s SER 223 Cb -0.37 -2.65 0.02 0.00 -1.71 0.00 0.00 66.02 61.32 1qgl s SER 223 CO 0.43 -0.63 0.96 0.61 1.20 0.00 0.00 173.24 175.80 1qgl n GLY 224 N 1.09 -0.41 1.11 9.45 0.00 -1.26 -4.83 105.19 110.34 1qgl n GLY 224 Ca 0.02 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1qgl n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qgl n SER 225 N -3.03 2.44 -3.97 1.61 3.41 -1.18 -4.95 113.62 107.95 1qgl n SER 225 Ca -0.17 -3.77 -0.30 0.00 -0.26 0.00 0.00 58.87 54.37 1qgl n SER 225 Cb 0.62 -0.63 0.21 0.00 -0.26 0.00 0.00 64.21 64.15 1qgl n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qgl s THR 226 N -3.24 1.92 0.00 6.66 -4.23 -1.26 -0.13 115.64 115.36 1qgl s THR 226 Ca 0.44 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1qgl s THR 226 Cb 0.40 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1qgl s THR 226 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1qgl n GLY 227 N -3.31 3.15 0.49 3.99 0.00 -0.86 -3.13 105.19 105.52 1qgl n GLY 227 Ca 0.16 -0.29 0.30 0.00 0.00 0.00 0.00 46.02 46.19 1qgl n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qgl h ARG 228 N 0.00 0.00 -0.10 1.61 0.11 -1.91 -1.81 114.38 112.28 1qgl h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qgl h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1qgl h ARG 228 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1qgl n LEU 229 N -3.78 0.83 -1.67 0.08 4.77 -1.18 -4.92 117.00 111.13 1qgl n LEU 229 Ca 0.20 -0.37 -0.07 0.00 -0.03 0.00 0.00 56.01 55.75 1qgl n LEU 229 Cb 1.15 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 42.15 1qgl n LEU 229 CO 0.32 0.18 -0.07 0.18 -1.33 0.00 0.00 177.39 176.67 1qgl n LEU 230 N -0.19 -0.55 -0.95 2.23 4.77 -0.68 -0.53 117.00 121.11 1qgl n LEU 230 Ca 0.13 0.23 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1qgl n LEU 230 Cb 0.18 -1.40 -0.05 0.00 -2.33 0.00 0.00 43.42 39.81 1qgl n LEU 230 CO 0.10 -0.25 -0.12 0.61 -1.33 0.00 0.00 177.39 176.40 1qgl n GLY 231 N -0.33 1.30 0.12 -0.72 0.00 0.81 -4.06 105.19 102.32 1qgl n GLY 231 Ca -0.07 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 1qgl n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qgl n LEU 232 N -1.40 2.74 -4.54 0.99 4.77 0.31 -4.45 117.00 115.41 1qgl n LEU 232 Ca -0.12 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.51 1qgl n LEU 232 Cb 0.45 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 1qgl n LEU 232 CO 0.19 0.64 -0.44 -0.36 -1.33 0.00 0.00 177.39 176.09 1qgl s PHE 233 N -2.22 2.71 0.25 -1.77 0.08 -1.16 -4.72 117.98 111.14 1qgl s PHE 233 Ca -0.15 -0.17 0.13 0.00 0.12 0.00 0.00 56.93 56.86 1qgl s PHE 233 Cb 0.04 -1.48 0.47 0.00 -0.57 0.00 0.00 43.02 41.49 1qgl s PHE 233 CO 0.25 0.36 1.66 -1.00 -0.10 0.00 0.00 175.22 176.39 1qgl h PRO 234 N 4.10 0.00 0.00 0.24 0.13 -1.92 -3.42 132.00 131.13 1qgl h PRO 234 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1qgl h PRO 234 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1qgl h PRO 234 CO 0.51 0.53 -0.02 -0.40 -0.23 0.00 0.00 178.00 178.39 1qgl n ASP 235 N -3.75 -0.83 -1.99 1.44 5.68 -1.26 -4.88 116.55 110.95 1qgl n ASP 235 Ca -0.01 -1.95 -0.04 0.00 -0.50 0.00 0.00 54.79 52.29 1qgl n ASP 235 Cb 0.57 1.50 0.33 0.00 -1.14 0.00 0.00 41.12 42.38 1qgl n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qgl n ALA 236 N -1.78 4.48 1.22 2.12 0.00 -1.26 -4.72 120.51 120.57 1qgl n ALA 236 Ca -0.08 -2.28 0.10 0.00 0.00 0.00 0.00 53.44 51.18 1qgl n ALA 236 Cb 0.31 -1.23 0.58 0.00 0.00 0.00 0.00 19.45 19.11 1qgl n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59