#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 4.63 -0.17 0.00 1.01 -1.26 -5.03 116.67 115.85 1qgl s ASP 2 Ca 0.00 1.47 -0.06 0.00 0.71 0.00 0.00 52.55 54.67 1qgl s ASP 2 Cb 0.00 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 1qgl s ASP 2 CO 0.00 -1.90 0.03 -0.89 0.21 0.00 0.00 175.17 172.62 1qgl s THR 3 N -3.07 4.53 -0.05 -1.27 2.01 -1.26 -5.01 115.64 111.53 1qgl s THR 3 Ca 0.60 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.50 1qgl s THR 3 Cb -0.15 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.35 1qgl s THR 3 CO 0.55 0.48 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.23 1qgl s ILE 4 N 0.25 0.97 -0.08 1.82 -1.09 -1.26 -3.45 121.20 118.35 1qgl s ILE 4 Ca 0.02 -0.42 0.03 0.00 -2.23 0.00 0.00 60.65 58.05 1qgl s ILE 4 Cb -0.13 -0.88 0.01 0.00 -1.58 0.00 0.00 42.46 39.88 1qgl s ILE 4 CO 0.01 0.31 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.17 1qgl s VAL 5 N 0.45 1.49 0.08 2.92 1.01 -0.89 0.03 120.40 125.48 1qgl s VAL 5 Ca -0.09 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 1qgl s VAL 5 Cb -0.13 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.95 1qgl s VAL 5 CO 0.02 0.44 0.38 0.00 0.00 0.00 0.00 175.10 175.94 1qgl s ALA 6 N 0.60 -0.90 -0.22 5.51 0.00 0.45 -0.93 121.76 126.27 1qgl s ALA 6 Ca -0.15 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 1qgl s ALA 6 Cb -0.16 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1qgl s ALA 6 CO 0.05 -0.52 -0.08 0.08 0.00 0.00 0.00 175.76 175.29 1qgl s VAL 7 N -3.06 2.97 -0.12 0.00 1.01 -0.51 0.78 120.40 121.46 1qgl s VAL 7 Ca -0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 1qgl s VAL 7 Cb 0.01 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1qgl s VAL 7 CO -0.07 0.37 0.02 -1.83 0.00 0.00 0.00 175.10 173.59 1qgl s GLU 8 N 1.39 3.39 -0.79 2.72 -1.05 0.34 -1.68 118.70 123.03 1qgl s GLU 8 Ca 0.04 -0.40 -0.12 0.00 -0.15 0.00 0.00 54.97 54.34 1qgl s GLU 8 Cb -0.15 -2.94 0.21 0.00 -0.44 0.00 0.00 34.13 30.81 1qgl s GLU 8 CO -0.05 0.51 0.71 -0.51 0.95 0.00 0.00 175.26 176.87 1qgl s LEU 9 N -0.34 6.52 -0.45 1.83 1.02 0.87 -0.87 118.68 127.25 1qgl s LEU 9 Ca 0.07 -2.68 -0.21 0.00 0.02 0.00 0.00 54.13 51.34 1qgl s LEU 9 Cb -0.12 -2.16 0.03 0.00 0.02 0.00 0.00 46.19 43.96 1qgl s LEU 9 CO 0.02 -0.56 0.65 -0.62 0.02 0.00 0.00 176.35 175.86 1qgl s ASP 10 N 2.01 6.30 0.17 2.29 -1.08 0.56 -1.64 116.67 125.29 1qgl s ASP 10 Ca 0.17 -0.44 0.24 0.00 -0.52 0.00 0.00 52.55 52.00 1qgl s ASP 10 Cb -0.12 -2.32 0.36 0.00 -1.46 0.00 0.00 42.92 39.38 1qgl s ASP 10 CO -0.08 -0.81 1.37 0.71 0.52 0.00 0.00 175.17 176.88 1qgl h THR 11 N 5.88 0.00 -3.23 1.71 1.35 -1.72 -1.52 112.91 115.38 1qgl h THR 11 Ca -0.26 -0.62 -0.60 0.00 -0.55 0.00 0.00 66.41 64.39 1qgl h THR 11 Cb 1.09 1.28 -0.36 0.00 -1.73 0.00 0.00 68.15 68.43 1qgl h THR 11 CO 0.91 0.00 -0.82 -0.47 -0.25 0.00 0.00 175.52 174.89 1qgl s TYR 12 N -3.19 2.20 -0.29 4.73 6.14 -1.25 -4.56 117.35 121.13 1qgl s TYR 12 Ca 0.06 -1.32 -0.28 0.00 0.64 0.00 0.00 57.07 56.17 1qgl s TYR 12 Cb 0.12 -1.58 -0.02 0.00 0.42 0.00 0.00 41.96 40.89 1qgl s TYR 12 CO 0.71 -0.69 1.83 -2.14 0.64 0.00 0.00 175.55 175.90 1qgl s PRO 13 N 1.47 3.40 -0.91 4.97 0.02 -1.26 -4.93 135.00 137.76 1qgl s PRO 13 Ca 0.03 1.57 -0.08 0.00 0.02 0.00 0.00 61.00 62.53 1qgl s PRO 13 Cb -0.14 -4.19 0.23 0.00 0.02 0.00 0.00 34.50 30.42 1qgl s PRO 13 CO -0.10 -1.78 0.84 -0.80 -0.33 0.00 0.00 177.00 174.83 1qgl s ASN 14 N 6.05 6.57 0.52 2.53 -0.87 -1.26 -4.90 114.94 123.57 1qgl s ASN 14 Ca 0.82 -3.25 0.22 0.00 -1.57 0.00 0.00 52.86 49.08 1qgl s ASN 14 Cb -0.25 -2.09 1.38 0.00 -0.02 0.00 0.00 41.25 40.27 1qgl s ASN 14 CO 0.34 -0.36 2.11 0.71 -2.57 0.00 0.00 177.10 177.32 1qgl h THR 15 N 4.32 0.80 0.00 1.60 1.35 -1.85 -2.54 112.91 116.59 1qgl h THR 15 Ca 0.13 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1qgl h THR 15 Cb 0.92 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1qgl h THR 15 CO 0.85 0.09 0.00 0.47 -0.25 0.00 0.00 175.52 176.68 1qgl n ASP 16 N -4.05 0.43 -0.36 5.36 9.92 -1.26 -2.71 116.55 123.88 1qgl n ASP 16 Ca -0.03 0.60 0.08 0.00 -0.53 0.00 0.00 54.79 54.92 1qgl n ASP 16 Cb 0.17 -0.70 0.18 0.00 -0.64 0.00 0.00 41.12 40.13 1qgl n ASP 16 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1qgl n ILE 17 N -1.98 2.05 0.00 0.53 -5.35 -0.99 -4.99 119.36 108.64 1qgl n ILE 17 Ca 0.03 -2.41 0.00 0.00 -0.27 0.00 0.00 62.75 60.10 1qgl n ILE 17 Cb 0.22 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 -1.22 2.69 3.69 3.28 0.00 -1.10 -4.70 105.19 107.83 1qgl n GLY 18 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 2.12 -4.69 1.61 8.00 -1.01 -4.97 116.55 117.61 1qgl n ASP 19 Ca 0.00 0.99 -0.29 0.00 0.71 0.00 0.00 54.79 56.20 1qgl n ASP 19 Cb 0.00 -1.49 0.16 0.00 -0.02 0.00 0.00 41.12 39.77 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 -2.57 0.83 -0.29 -0.24 0.02 -1.26 -4.34 135.00 127.15 1qgl s PRO 20 Ca 0.68 0.74 -0.03 0.00 0.02 0.00 0.00 61.00 62.41 1qgl s PRO 20 Cb -0.46 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.31 1qgl s PRO 20 CO 0.52 -2.52 2.74 -1.13 -0.33 0.00 0.00 177.00 176.29 1qgl n SER 21 N -4.06 6.11 -3.61 2.53 3.41 -1.26 -4.64 113.62 112.11 1qgl n SER 21 Ca 0.06 -2.95 -0.05 0.00 -0.26 0.00 0.00 58.87 55.67 1qgl n SER 21 Cb 0.56 -1.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.26 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 -0.99 -0.20 0.44 7.33 -0.85 -1.26 -4.97 117.35 116.84 1qgl s TYR 22 Ca 0.50 0.04 -0.24 0.00 -0.52 0.00 0.00 57.07 56.85 1qgl s TYR 22 Cb 0.31 0.56 -0.10 0.00 0.38 0.00 0.00 41.96 43.12 1qgl s TYR 22 CO -0.11 -0.51 1.13 -2.30 -1.52 0.00 0.00 175.55 172.24 1qgl n PRO 23 N -0.31 1.57 -3.54 -3.49 -0.02 -1.26 -4.64 135.00 123.31 1qgl n PRO 23 Ca -0.06 0.56 -0.11 0.00 -2.02 0.00 0.00 63.50 61.87 1qgl n PRO 23 Cb 0.61 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 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 -1.26 -0.39 -0.03 6.00 -3.43 -0.57 -1.78 115.29 113.84 1qgl s HIS 24 Ca 0.64 0.12 0.03 0.00 -0.80 0.00 0.00 55.06 55.04 1qgl s HIS 24 Cb -0.52 0.48 -0.03 0.00 -1.43 0.00 0.00 32.58 31.08 1qgl s HIS 24 CO 0.56 -0.85 -0.08 0.96 -2.00 0.00 0.00 174.74 173.33 1qgl s ILE 25 N -3.79 3.55 0.15 -5.38 -4.36 -0.80 -0.33 121.20 110.24 1qgl s ILE 25 Ca 0.03 -0.67 -0.09 0.00 -0.26 0.00 0.00 60.65 59.66 1qgl s ILE 25 Cb -0.01 -2.49 -0.00 0.00 1.25 0.00 0.00 42.46 41.21 1qgl s ILE 25 CO -0.10 0.50 0.28 -0.83 0.24 0.00 0.00 174.94 175.03 1qgl s GLY 26 N -1.09 0.35 -0.27 6.27 0.00 -0.05 -1.34 107.32 111.19 1qgl s GLY 26 Ca 0.14 -0.77 -0.06 0.00 0.00 0.00 0.00 44.72 44.03 1qgl s GLY 26 CO 0.04 -0.79 0.05 -0.42 0.00 0.00 0.00 173.10 171.98 1qgl s ILE 27 N -3.94 3.88 -0.23 0.90 1.01 -0.56 -0.50 121.20 121.76 1qgl s ILE 27 Ca 0.14 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 1qgl s ILE 27 Cb 0.03 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1qgl s ILE 27 CO -0.03 0.22 0.06 -1.81 0.00 0.00 0.00 174.94 173.38 1qgl s ASP 28 N 1.52 5.14 -0.37 3.58 1.01 0.23 -1.00 116.67 126.78 1qgl s ASP 28 Ca 0.04 -0.17 -0.03 0.00 0.71 0.00 0.00 52.55 53.10 1qgl s ASP 28 Cb -0.16 -1.91 0.09 0.00 1.01 0.00 0.00 42.92 41.95 1qgl s ASP 28 CO 0.01 0.01 0.14 -0.63 0.21 0.00 0.00 175.17 174.91 1qgl s ILE 29 N 1.35 3.30 0.00 0.77 -1.09 -1.26 -0.41 121.20 123.85 1qgl s ILE 29 Ca 0.05 -1.76 0.00 0.00 -2.23 0.00 0.00 60.65 56.71 1qgl s ILE 29 Cb -0.15 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 1qgl s ILE 29 CO 0.03 -0.48 0.00 0.29 -1.23 0.00 0.00 174.94 173.55 1qgl n LYS 30 N 4.64 -1.69 -3.72 2.79 5.02 0.10 -4.91 118.16 120.39 1qgl n LYS 30 Ca -0.06 0.39 -0.14 0.00 -2.02 0.00 0.00 58.31 56.48 1qgl n LYS 30 Cb 0.42 -4.71 -0.09 0.00 -0.02 0.00 0.00 35.03 30.63 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 -1.84 -0.31 0.28 4.39 0.15 -1.26 -4.93 113.70 110.18 1qgl s SER 31 Ca 0.00 0.34 0.25 0.00 0.70 0.00 0.00 55.95 57.24 1qgl s SER 31 Cb 0.00 0.46 0.99 0.00 -1.71 0.00 0.00 66.02 65.77 1qgl s SER 31 CO 0.00 -0.40 1.74 1.62 1.20 0.00 0.00 173.24 177.40 1qgl h VAL 32 N 3.90 0.00 -1.99 4.45 3.04 -1.89 -3.39 116.25 120.36 1qgl h VAL 32 Ca -0.29 -0.29 -0.65 0.00 -1.01 0.00 0.00 66.70 64.46 1qgl h VAL 32 Cb 1.17 1.08 -0.14 0.00 -2.01 0.00 0.00 31.29 31.39 1qgl h VAL 32 CO 0.36 0.00 1.04 -0.13 -1.01 0.00 0.00 177.57 177.83 1qgl s ARG 33 N -3.32 3.53 0.07 4.17 0.52 -1.26 -4.98 118.95 117.68 1qgl s ARG 33 Ca 0.05 -1.40 -0.36 0.00 -0.52 0.00 0.00 55.73 53.50 1qgl s ARG 33 Cb 0.10 -4.97 -0.19 0.00 0.52 0.00 0.00 34.95 30.41 1qgl s ARG 33 CO 0.43 -1.94 0.99 0.43 0.02 0.00 0.00 175.30 175.23 1qgl n SER 34 N 7.56 0.04 0.21 0.23 7.64 -1.26 -4.83 113.62 123.20 1qgl n SER 34 Ca 0.23 1.15 0.07 0.00 1.01 0.00 0.00 58.87 61.33 1qgl n SER 34 Cb 0.49 -0.98 0.44 0.00 -1.01 0.00 0.00 64.21 63.15 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 2.76 0.00 -2.44 1.43 1.79 -1.41 -3.44 116.57 115.26 1qgl h LYS 35 Ca -0.45 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.93 1qgl h LYS 35 Cb 1.41 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.85 1qgl h LYS 35 CO 0.65 0.30 -0.05 0.21 -1.08 0.00 0.00 179.45 179.48 1qgl s LYS 36 N -3.85 0.73 0.14 3.15 2.47 -1.25 -5.02 119.74 116.12 1qgl s LYS 36 Ca -0.01 0.48 -0.03 0.00 -1.56 0.00 0.00 55.97 54.85 1qgl s LYS 36 Cb 0.12 0.35 -0.03 0.00 -1.46 0.00 0.00 37.83 36.81 1qgl s LYS 36 CO 0.66 -0.15 0.10 0.95 0.16 0.00 0.00 175.35 177.08 1qgl s THR 37 N -0.33 0.10 -0.03 3.43 -4.23 -1.26 -1.49 115.64 111.82 1qgl s THR 37 Ca -0.05 -1.80 -0.08 0.00 -1.18 0.00 0.00 61.69 58.58 1qgl s THR 37 Cb -0.03 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 71.82 1qgl s THR 37 CO 0.03 -0.43 0.18 0.00 -0.54 0.00 0.00 174.62 173.86 1qgl s ALA 38 N -4.03 -0.44 0.36 3.99 0.00 -0.45 -4.99 121.76 116.20 1qgl s ALA 38 Ca 0.23 0.18 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 1qgl s ALA 38 Cb 0.07 -0.06 -0.10 0.00 0.00 0.00 0.00 23.12 23.02 1qgl s ALA 38 CO 0.01 -0.17 1.34 0.21 0.00 0.00 0.00 175.76 177.15 1qgl s LYS 39 N -0.81 4.21 -0.10 0.00 2.20 -1.26 -1.91 119.74 122.07 1qgl s LYS 39 Ca -0.09 2.27 -0.01 0.00 -0.36 0.00 0.00 55.97 57.77 1qgl s LYS 39 Cb -0.05 -2.97 0.03 0.00 -1.51 0.00 0.00 37.83 33.33 1qgl s LYS 39 CO 0.01 -0.33 -0.01 -0.46 -0.36 0.00 0.00 175.35 174.20 1qgl s TRP 40 N -1.17 0.93 -1.17 4.03 -0.00 -0.73 -4.78 118.94 116.05 1qgl s TRP 40 Ca 0.52 -0.43 -0.18 0.00 -0.00 0.00 0.00 56.10 56.01 1qgl s TRP 40 Cb -0.41 -0.95 0.10 0.00 -0.00 0.00 0.00 33.47 32.22 1qgl s TRP 40 CO 0.54 -0.42 1.51 -0.80 -0.00 0.00 0.00 176.95 177.78 1qgl s ASN 41 N 1.89 6.81 0.15 5.86 0.01 -1.26 -4.44 114.94 123.96 1qgl s ASN 41 Ca 0.04 -2.36 -0.31 0.00 -0.71 0.00 0.00 52.86 49.51 1qgl s ASN 41 Cb -0.13 -2.50 -0.10 0.00 0.41 0.00 0.00 41.25 38.93 1qgl s ASN 41 CO -0.06 -1.10 1.55 -0.32 -1.51 0.00 0.00 177.10 175.66 1qgl s MET 42 N 3.38 4.23 -0.42 -0.60 -2.45 -1.26 -4.97 119.30 117.20 1qgl s MET 42 Ca 0.46 2.32 -0.10 0.00 -1.25 0.00 0.00 55.69 57.13 1qgl s MET 42 Cb 0.00 -3.19 0.08 0.00 1.25 0.00 0.00 34.83 32.96 1qgl s MET 42 CO -0.00 -0.59 0.27 -0.65 1.05 0.00 0.00 175.02 175.09 1qgl s GLN 43 N 1.23 2.64 0.02 4.11 -0.21 -1.26 -5.06 119.66 121.14 1qgl s GLN 43 Ca 0.70 -1.44 -0.33 0.00 0.02 0.00 0.00 55.36 54.31 1qgl s GLN 43 Cb -0.43 -3.81 -0.11 0.00 1.00 0.00 0.00 33.01 29.66 1qgl s GLN 43 CO 0.31 -0.95 1.84 -1.71 -2.12 0.00 0.00 175.29 172.66 1qgl n ASN 44 N 4.94 3.67 0.00 5.90 2.85 -1.26 -2.32 115.26 129.04 1qgl n ASN 44 Ca -0.10 0.98 0.00 0.00 -0.11 0.00 0.00 54.58 55.35 1qgl n ASN 44 Cb 0.43 -1.45 0.00 0.00 1.24 0.00 0.00 39.78 40.00 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 4.24 1.02 3.88 8.20 0.00 -0.47 -4.98 105.19 117.08 1qgl n GLY 45 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.64 3.27 -0.10 1.61 1.02 -0.98 -4.93 119.74 118.99 1qgl s LYS 46 Ca 0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 1qgl s LYS 46 Cb 0.00 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 1qgl s LYS 46 CO 0.00 0.59 1.04 0.08 -0.92 0.00 0.00 175.35 176.14 1qgl s VAL 47 N -1.50 4.69 0.42 3.17 1.01 -1.26 -4.22 120.40 122.71 1qgl s VAL 47 Ca 0.33 1.97 0.07 0.00 0.00 0.00 0.00 61.98 64.35 1qgl s VAL 47 Cb -0.13 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 31.94 1qgl s VAL 47 CO 0.26 0.00 0.13 -0.83 0.00 0.00 0.00 175.10 174.66 1qgl s GLY 48 N 1.16 2.43 -0.01 4.51 0.00 0.49 -4.55 107.32 111.34 1qgl s GLY 48 Ca 0.50 -2.04 0.03 0.00 0.00 0.00 0.00 44.72 43.20 1qgl s GLY 48 CO 0.19 -1.98 -0.09 -1.59 0.00 0.00 0.00 173.10 169.62 1qgl s THR 49 N -2.65 0.75 -0.03 0.90 2.01 -0.06 -1.05 115.64 115.50 1qgl s THR 49 Ca 0.37 -0.39 0.05 0.00 0.31 0.00 0.00 61.69 62.04 1qgl s THR 49 Cb 0.05 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 1qgl s THR 49 CO 0.20 0.22 -0.20 0.00 -0.69 0.00 0.00 174.62 174.15 1qgl s ALA 50 N -0.10 1.71 -0.10 7.40 0.00 -0.17 -0.93 121.76 129.56 1qgl s ALA 50 Ca 0.02 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1qgl s ALA 50 Cb -0.05 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1qgl s ALA 50 CO -0.00 0.36 -0.15 -1.01 0.00 0.00 0.00 175.76 174.95 1qgl s HIS 51 N -0.21 1.94 -0.10 0.00 3.76 0.38 -2.12 115.29 118.94 1qgl s HIS 51 Ca 0.01 -0.88 0.04 0.00 -0.15 0.00 0.00 55.06 54.08 1qgl s HIS 51 Cb -0.10 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.20 1qgl s HIS 51 CO 0.01 -0.44 -0.23 0.42 -0.85 0.00 0.00 174.74 173.64 1qgl s ILE 52 N 0.90 2.04 0.10 0.60 1.09 0.57 -0.71 121.20 125.79 1qgl s ILE 52 Ca -0.09 -1.00 0.04 0.00 -1.10 0.00 0.00 60.65 58.51 1qgl s ILE 52 Cb -0.15 -1.77 -0.04 0.00 -1.06 0.00 0.00 42.46 39.44 1qgl s ILE 52 CO -0.00 0.55 -0.11 0.27 -0.10 0.00 0.00 174.94 175.55 1qgl s ILE 53 N 0.41 1.06 -0.23 2.92 -4.36 -0.06 -0.79 121.20 120.15 1qgl s ILE 53 Ca -0.17 -1.65 -0.27 0.00 -0.26 0.00 0.00 60.65 58.30 1qgl s ILE 53 Cb -0.18 -1.40 0.10 0.00 1.25 0.00 0.00 42.46 42.24 1qgl s ILE 53 CO 0.07 -0.50 0.88 -0.47 0.24 0.00 0.00 174.94 175.16 1qgl s TYR 54 N -2.31 -0.59 -0.01 1.37 5.04 -0.97 -1.52 117.35 118.37 1qgl s TYR 54 Ca 0.06 1.33 -0.08 0.00 -2.44 0.00 0.00 57.07 55.94 1qgl s TYR 54 Cb -0.04 0.35 0.01 0.00 0.35 0.00 0.00 41.96 42.63 1qgl s TYR 54 CO 0.01 -0.35 0.17 0.54 -1.34 0.00 0.00 175.55 174.58 1qgl s ASN 55 N -0.10 -0.03 0.14 4.32 2.20 -1.26 -1.94 114.94 118.26 1qgl s ASN 55 Ca -0.00 -0.11 0.22 0.00 -0.94 0.00 0.00 52.86 52.03 1qgl s ASN 55 Cb -0.04 0.24 0.89 0.00 -2.00 0.00 0.00 41.25 40.34 1qgl s ASN 55 CO -0.01 -0.35 1.69 -1.54 -2.94 0.00 0.00 177.10 173.95 1qgl n SER 56 N 1.59 0.40 -0.01 3.54 3.41 0.16 -1.26 113.62 121.46 1qgl n SER 56 Ca -0.21 0.58 -0.17 0.00 -0.26 0.00 0.00 58.87 58.81 1qgl n SER 56 Cb 0.56 -0.67 -0.12 0.00 -0.26 0.00 0.00 64.21 63.72 1qgl n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1qgl h VAL 57 N 0.00 1.51 0.00 -3.33 2.07 -1.89 -3.33 116.25 111.28 1qgl h VAL 57 Ca 0.00 -2.08 -0.18 0.00 0.82 0.00 0.00 66.70 65.26 1qgl h VAL 57 Cb 0.42 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 1qgl h VAL 57 CO 0.00 0.58 -1.11 0.44 0.02 0.00 0.00 177.57 177.51 1qgl h ASP 58 N -0.35 0.00 -6.06 0.57 3.32 -1.97 -3.48 116.42 108.45 1qgl h ASP 58 Ca -0.06 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.57 1qgl h ASP 58 Cb 1.20 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.80 1qgl h ASP 58 CO 0.09 0.74 -0.78 0.29 -1.72 0.00 0.00 179.24 177.86 1qgl n LYS 59 N -3.13 -5.78 -4.38 3.56 5.02 -0.39 -4.90 118.16 108.16 1qgl n LYS 59 Ca -0.05 0.67 -0.30 0.00 -2.02 0.00 0.00 58.31 56.61 1qgl n LYS 59 Cb 0.88 -5.47 -0.17 0.00 -0.02 0.00 0.00 35.03 30.25 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 -6.15 2.50 -0.28 1.97 6.06 -1.26 -1.05 118.95 120.74 1qgl s ARG 60 Ca 0.30 -0.65 -0.11 0.00 -2.50 0.00 0.00 55.73 52.77 1qgl s ARG 60 Cb -0.14 -2.13 -0.04 0.00 0.06 0.00 0.00 34.95 32.70 1qgl s ARG 60 CO 0.80 -0.10 0.17 -1.17 -2.50 0.00 0.00 175.30 172.50 1qgl s LEU 61 N 1.09 4.00 0.09 -0.88 2.96 0.25 -4.13 118.68 122.05 1qgl s LEU 61 Ca -0.03 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.83 1qgl s LEU 61 Cb -0.14 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1qgl s LEU 61 CO -0.05 -0.08 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.26 1qgl s SER 62 N 1.72 2.44 0.01 3.68 0.01 -0.57 -0.51 113.70 120.48 1qgl s SER 62 Ca 0.07 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.67 1qgl s SER 62 Cb -0.16 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 1qgl s SER 62 CO 0.09 0.05 -0.04 0.00 0.41 0.00 0.00 173.24 173.76 1qgl s ALA 63 N -1.14 0.30 -0.03 1.44 0.00 -0.01 -0.88 121.76 121.44 1qgl s ALA 63 Ca 0.06 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.68 1qgl s ALA 63 Cb -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1qgl s ALA 63 CO 0.04 0.00 -0.09 0.08 0.00 0.00 0.00 175.76 175.79 1qgl s VAL 64 N -0.63 0.82 -0.07 0.00 1.01 0.11 -2.04 120.40 119.61 1qgl s VAL 64 Ca -0.05 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1qgl s VAL 64 Cb -0.05 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1qgl s VAL 64 CO -0.00 0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 174.57 1qgl s VAL 65 N 0.23 0.94 0.16 2.92 1.01 -0.43 -0.47 120.40 124.77 1qgl s VAL 65 Ca -0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1qgl s VAL 65 Cb -0.09 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1qgl s VAL 65 CO 0.01 0.32 0.22 -0.94 0.00 0.00 0.00 175.10 174.70 1qgl s SER 66 N 0.89 0.12 0.12 3.32 1.04 -0.11 -0.96 113.70 118.13 1qgl s SER 66 Ca -0.11 -0.99 0.07 0.00 0.48 0.00 0.00 55.95 55.40 1qgl s SER 66 Cb -0.15 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1qgl s SER 66 CO 0.01 -0.85 -0.16 -0.31 0.98 0.00 0.00 173.24 172.91 1qgl s TYR 67 N -4.00 1.55 0.41 5.02 2.02 -1.26 -0.88 117.35 120.20 1qgl s TYR 67 Ca 0.20 -0.49 -0.26 0.00 -0.37 0.00 0.00 57.07 56.14 1qgl s TYR 67 Cb 0.05 -0.82 -0.10 0.00 -0.40 0.00 0.00 41.96 40.69 1qgl s TYR 67 CO 0.01 0.19 1.36 -2.30 -1.57 0.00 0.00 175.55 173.24 1qgl n PRO 68 N 0.71 2.20 -2.69 -1.71 -0.02 -1.26 -2.33 135.00 129.90 1qgl n PRO 68 Ca -0.17 0.78 -0.18 0.00 -2.02 0.00 0.00 63.50 61.91 1qgl n PRO 68 Cb 0.56 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 0.24 -4.68 -4.15 2.55 5.03 -1.26 -4.94 115.26 108.04 1qgl n ASN 69 Ca 0.05 -0.03 -0.10 0.00 0.87 0.00 0.00 54.58 55.37 1qgl n ASN 69 Cb 0.39 -3.90 -0.10 0.00 -1.02 0.00 0.00 39.78 35.15 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 -2.86 0.87 0.74 5.41 0.00 -0.98 -5.14 121.76 119.80 1qgl s ALA 70 Ca 0.12 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.50 1qgl s ALA 70 Cb -0.06 0.84 0.04 0.00 0.00 0.00 0.00 23.12 23.94 1qgl s ALA 70 CO 0.15 -0.48 1.08 -0.51 0.00 0.00 0.00 175.76 175.99 1qgl s ASP 71 N -3.05 4.93 0.27 0.00 1.01 -1.26 -4.64 116.67 113.93 1qgl s ASP 71 Ca 0.24 1.52 0.09 0.00 0.71 0.00 0.00 52.55 55.10 1qgl s ASP 71 Cb 0.07 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 1qgl s ASP 71 CO 0.02 -1.72 0.05 -0.94 0.21 0.00 0.00 175.17 172.79 1qgl s SER 72 N -3.79 4.76 -0.11 0.27 1.04 -1.26 -4.44 113.70 110.17 1qgl s SER 72 Ca 0.59 -0.58 -0.02 0.00 0.48 0.00 0.00 55.95 56.43 1qgl s SER 72 Cb -0.15 -0.95 -0.03 0.00 0.10 0.00 0.00 66.02 65.00 1qgl s SER 72 CO 0.55 -0.04 -0.05 0.00 0.98 0.00 0.00 173.24 174.68 1qgl s ALA 73 N -2.30 3.02 0.06 5.32 0.00 -0.13 -4.95 121.76 122.78 1qgl s ALA 73 Ca 0.32 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.51 1qgl s ALA 73 Cb -0.06 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1qgl s ALA 73 CO 0.21 0.39 -0.20 0.99 0.00 0.00 0.00 175.76 177.15 1qgl s THR 74 N -0.21 1.64 -0.13 0.00 2.01 -1.26 -1.31 115.64 116.37 1qgl s THR 74 Ca 0.04 -1.28 -0.11 0.00 0.31 0.00 0.00 61.69 60.65 1qgl s THR 74 Cb -0.13 -1.44 0.04 0.00 0.01 0.00 0.00 72.50 70.98 1qgl s THR 74 CO 0.02 0.12 0.34 0.54 -0.69 0.00 0.00 174.62 174.95 1qgl s VAL 75 N -0.90 -0.01 -0.00 3.82 0.11 -0.87 -4.69 120.40 117.85 1qgl s VAL 75 Ca 0.07 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1qgl s VAL 75 Cb -0.09 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1qgl s VAL 75 CO 0.02 0.01 0.06 -0.55 -3.33 0.00 0.00 175.10 171.31 1qgl s SER 76 N 0.50 0.07 -0.12 3.54 0.15 -1.26 -0.83 113.70 115.74 1qgl s SER 76 Ca -0.03 -0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.33 1qgl s SER 76 Cb -0.04 0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.45 1qgl s SER 76 CO -0.03 -0.23 0.32 -0.47 1.20 0.00 0.00 173.24 174.04 1qgl s TYR 77 N -0.92 -0.36 -0.31 3.44 5.04 0.34 -4.97 117.35 119.60 1qgl s TYR 77 Ca -0.10 0.88 -0.27 0.00 -2.44 0.00 0.00 57.07 55.13 1qgl s TYR 77 Cb -0.06 0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.39 1qgl s TYR 77 CO 0.00 -0.18 0.99 -0.51 -1.34 0.00 0.00 175.55 174.51 1qgl s ASP 78 N 0.31 6.85 -0.20 4.32 1.01 -1.26 -0.58 116.67 127.12 1qgl s ASP 78 Ca -0.01 0.93 -0.18 0.00 0.71 0.00 0.00 52.55 54.00 1qgl s ASP 78 Cb -0.03 -2.50 0.05 0.00 1.01 0.00 0.00 42.92 41.45 1qgl s ASP 78 CO -0.01 -0.80 0.52 0.54 0.21 0.00 0.00 175.17 175.64 1qgl s VAL 79 N 3.43 -0.00 -0.53 -1.27 0.11 -0.21 -4.98 120.40 116.95 1qgl s VAL 79 Ca 0.41 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.31 1qgl s VAL 79 Cb -0.13 -0.73 0.11 0.00 -1.53 0.00 0.00 36.38 34.11 1qgl s VAL 79 CO 0.14 0.00 0.49 -0.62 -3.33 0.00 0.00 175.10 171.78 1qgl s ASP 80 N 0.35 6.18 0.16 3.54 -1.08 -1.26 -4.31 116.67 120.24 1qgl s ASP 80 Ca -0.01 -1.66 0.11 0.00 -0.52 0.00 0.00 52.55 50.48 1qgl s ASP 80 Cb -0.04 -2.21 0.58 0.00 -1.46 0.00 0.00 42.92 39.80 1qgl s ASP 80 CO -0.00 -0.82 1.33 0.18 0.52 0.00 0.00 175.17 176.38 1qgl n LEU 81 N 5.30 0.28 -0.12 -1.34 4.77 -1.26 -1.68 117.00 122.94 1qgl n LEU 81 Ca -0.13 0.63 -0.07 0.00 -0.03 0.00 0.00 56.01 56.41 1qgl n LEU 81 Cb 0.41 -0.67 0.09 0.00 -2.33 0.00 0.00 43.42 40.93 1qgl n LEU 81 CO 0.53 -0.72 0.78 0.44 -1.33 0.00 0.00 177.39 177.08 1qgl h ASP 82 N 0.00 0.84 0.21 -1.43 5.19 -1.91 -0.42 116.42 118.90 1qgl h ASP 82 Ca 0.00 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1qgl h ASP 82 Cb 0.00 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.28 1qgl h ASP 82 CO 0.00 0.97 -0.04 0.59 -3.12 0.00 0.00 179.24 177.65 1qgl n ASN 83 N -4.15 0.38 -0.03 6.45 3.02 -0.68 -4.33 115.26 115.92 1qgl n ASN 83 Ca 0.01 -0.80 -0.07 0.00 -0.03 0.00 0.00 54.58 53.70 1qgl n ASN 83 Cb 0.38 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 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 -0.86 0.38 -3.99 2.41 0.31 -0.98 -5.07 118.33 110.54 1qgl n VAL 84 Ca 0.18 -0.11 -0.28 0.00 -0.01 0.00 0.00 64.34 64.13 1qgl n VAL 84 Cb 0.22 -1.45 -0.05 0.00 -0.91 0.00 0.00 33.84 31.66 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 -6.21 4.12 0.95 7.52 1.43 -0.20 -4.98 118.68 121.32 1qgl s LEU 85 Ca -0.10 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 1qgl s LEU 85 Cb 0.03 -2.73 0.16 0.00 0.03 0.00 0.00 46.19 43.68 1qgl s LEU 85 CO 0.13 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.75 1qgl s PRO 86 N -2.82 0.80 0.27 1.29 0.04 -1.26 -4.75 135.00 128.57 1qgl s PRO 86 Ca 0.33 0.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.05 1qgl s PRO 86 Cb -0.12 -1.76 0.34 0.00 0.04 0.00 0.00 34.50 33.01 1qgl s PRO 86 CO 0.26 -2.53 1.93 1.49 0.04 0.00 0.00 177.00 178.19 1qgl h GLU 87 N -1.76 1.22 -6.21 4.56 4.81 -1.94 -3.42 114.58 111.85 1qgl h GLU 87 Ca -0.52 -0.07 -0.68 0.00 -0.13 0.00 0.00 59.36 57.96 1qgl h GLU 87 Cb 1.30 -0.28 -0.17 0.00 0.63 0.00 0.00 28.75 30.24 1qgl h GLU 87 CO 0.55 0.81 -0.69 -1.58 -0.73 0.00 0.00 179.01 177.37 1qgl s TRP 88 N -6.05 2.94 0.37 0.92 0.52 -1.26 -1.99 118.94 114.39 1qgl s TRP 88 Ca -0.12 0.01 -0.04 0.00 0.02 0.00 0.00 56.10 55.96 1qgl s TRP 88 Cb 0.18 -1.66 0.02 0.00 -1.15 0.00 0.00 33.47 30.86 1qgl s TRP 88 CO 0.81 0.38 0.55 0.14 0.02 0.00 0.00 176.95 178.85 1qgl s VAL 89 N -0.94 0.00 0.09 4.03 -7.23 -0.46 -4.40 120.40 111.50 1qgl s VAL 89 Ca 0.16 -1.48 0.08 0.00 -1.81 0.00 0.00 61.98 58.92 1qgl s VAL 89 Cb -0.11 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 1qgl s VAL 89 CO 0.06 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.52 1qgl s ARG 90 N -2.73 1.10 0.13 4.82 0.52 -0.53 0.53 118.95 122.79 1qgl s ARG 90 Ca 0.28 -1.12 0.10 0.00 -0.52 0.00 0.00 55.73 54.47 1qgl s ARG 90 Cb -0.02 -1.32 -0.04 0.00 0.52 0.00 0.00 34.95 34.09 1qgl s ARG 90 CO 0.20 0.31 -0.22 0.14 0.02 0.00 0.00 175.30 175.75 1qgl s VAL 91 N -1.15 2.54 0.05 3.52 -7.23 -1.26 -1.42 120.40 115.45 1qgl s VAL 91 Ca 0.05 -1.67 -0.04 0.00 -1.81 0.00 0.00 61.98 58.52 1qgl s VAL 91 Cb -0.10 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.70 1qgl s VAL 91 CO 0.04 0.07 0.18 0.61 -0.31 0.00 0.00 175.10 175.69 1qgl n GLY 92 N 0.78 1.36 3.21 2.32 0.00 -0.28 -1.68 105.19 110.90 1qgl n GLY 92 Ca -0.16 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 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 2.09 0.05 0.99 1.43 -0.31 -1.09 118.68 121.85 1qgl s LEU 93 Ca 0.04 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1qgl s LEU 93 Cb -0.01 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 1qgl s LEU 93 CO 0.01 0.19 -0.05 -0.55 0.23 0.00 0.00 176.35 176.18 1qgl s SER 94 N -0.75 0.71 0.15 2.29 0.15 0.79 -1.16 113.70 115.88 1qgl s SER 94 Ca 0.07 -0.77 -0.24 0.00 0.70 0.00 0.00 55.95 55.71 1qgl s SER 94 Cb -0.08 0.11 0.07 0.00 -1.71 0.00 0.00 66.02 64.41 1qgl s SER 94 CO 0.00 -0.39 0.69 0.00 1.20 0.00 0.00 173.24 174.74 1qgl s ALA 95 N -2.63 -1.58 0.31 5.45 0.00 -0.94 0.39 121.76 122.76 1qgl s ALA 95 Ca -0.01 0.43 -0.19 0.00 0.00 0.00 0.00 51.96 52.18 1qgl s ALA 95 Cb -0.01 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.92 1qgl s ALA 95 CO -0.04 -0.82 0.73 -1.54 0.00 0.00 0.00 175.76 174.10 1qgl s SER 96 N -2.74 -0.17 0.09 0.00 1.04 -1.10 -2.35 113.70 108.46 1qgl s SER 96 Ca 0.04 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 55.67 1qgl s SER 96 Cb -0.02 0.76 -0.03 0.00 0.10 0.00 0.00 66.02 66.83 1qgl s SER 96 CO -0.08 -1.44 0.05 0.42 0.98 0.00 0.00 173.24 173.17 1qgl s THR 97 N -3.47 0.16 0.00 2.02 -4.23 -0.07 -0.91 115.64 109.14 1qgl s THR 97 Ca 0.13 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1qgl s THR 97 Cb -0.06 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.10 1qgl s THR 97 CO 0.08 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 1qgl n GLY 98 N -0.00 3.36 0.22 3.99 0.00 -1.26 -0.92 105.19 110.58 1qgl n GLY 98 Ca -0.11 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 0.89-10.13 0.99 5.85 -1.97 -0.77 115.31 110.16 1qgl h LEU 99 Ca 0.00 -0.56 -0.50 0.00 0.84 0.00 0.00 57.88 57.66 1qgl h LEU 99 Cb 0.00 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1qgl h LEU 99 CO 0.00 1.35 -0.34 -0.31 -0.34 0.00 0.00 178.44 178.80 1qgl s TYR 100 N -3.82 3.48 0.17 1.25 2.02 -1.26 -4.83 117.35 114.35 1qgl s TYR 100 Ca -0.10 0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 56.80 1qgl s TYR 100 Cb 0.09 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1qgl s TYR 100 CO 0.89 0.36 0.13 -1.59 -1.57 0.00 0.00 175.55 173.77 1qgl s LYS 101 N -3.71 1.10 0.10 -0.62 0.00 -1.25 -4.43 119.74 110.93 1qgl s LYS 101 Ca 0.37 -1.49 -0.25 0.00 0.00 0.00 0.00 55.97 54.60 1qgl s LYS 101 Cb -0.10 0.28 0.08 0.00 0.00 0.00 0.00 37.83 38.08 1qgl s LYS 101 CO 0.30 -0.35 0.68 -1.83 0.00 0.00 0.00 175.35 174.15 1qgl s GLU 102 N -4.09 1.15 0.27 1.78 -1.05 -1.02 -3.89 118.70 111.84 1qgl s GLU 102 Ca 0.30 -0.36 -0.22 0.00 -0.15 0.00 0.00 54.97 54.54 1qgl s GLU 102 Cb 0.07 0.53 -0.09 0.00 -0.44 0.00 0.00 34.13 34.20 1qgl s GLU 102 CO 0.07 -0.49 0.81 0.95 0.95 0.00 0.00 175.26 177.55 1qgl s THR 103 N -3.36 4.43 -0.66 1.83 -4.23 -0.36 -4.71 115.64 108.59 1qgl s THR 103 Ca 0.01 1.48 0.05 0.00 -1.18 0.00 0.00 61.69 62.06 1qgl s THR 103 Cb -0.01 -3.90 0.19 0.00 1.34 0.00 0.00 72.50 70.12 1qgl s THR 103 CO -0.10 0.16 0.54 0.59 -0.54 0.00 0.00 174.62 175.27 1qgl n ASN 104 N 0.61 2.79 -4.71 3.99 4.13 -1.26 -3.51 115.26 117.29 1qgl n ASN 104 Ca -0.00 -3.17 -0.38 0.00 1.68 0.00 0.00 54.58 52.70 1qgl n ASN 104 Cb 0.51 -0.72 -0.06 0.00 -1.54 0.00 0.00 39.78 37.97 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 -1.54 5.18 -0.25 3.41 2.01 -1.00 -2.09 115.64 121.36 1qgl s THR 105 Ca 0.29 0.92 -0.08 0.00 0.31 0.00 0.00 61.69 63.14 1qgl s THR 105 Cb 0.01 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1qgl s THR 105 CO -0.14 0.29 0.08 -0.63 -0.69 0.00 0.00 174.62 173.54 1qgl s ILE 106 N 0.87 4.46 -0.12 1.82 -1.09 0.27 -0.58 121.20 126.84 1qgl s ILE 106 Ca 0.25 -0.12 0.17 0.00 -2.23 0.00 0.00 60.65 58.71 1qgl s ILE 106 Cb -0.15 -3.09 -0.21 0.00 -1.58 0.00 0.00 42.46 37.44 1qgl s ILE 106 CO 0.10 0.34 0.55 0.18 -1.23 0.00 0.00 174.94 174.87 1qgl n LEU 107 N 4.81 0.54 -3.44 2.97 4.32 -0.26 -1.27 117.00 124.67 1qgl n LEU 107 Ca -0.16 0.24 -0.11 0.00 -0.02 0.00 0.00 56.01 55.96 1qgl n LEU 107 Cb 0.52 0.20 -0.02 0.00 -1.62 0.00 0.00 43.42 42.50 1qgl n LEU 107 CO 0.31 0.28 0.46 -0.94 -1.22 0.00 0.00 177.39 176.28 1qgl s SER 108 N -5.63 -0.53 -0.27 -1.43 1.04 -1.23 -4.48 113.70 101.17 1qgl s SER 108 Ca -0.06 -0.00 -0.15 0.00 0.48 0.00 0.00 55.95 56.22 1qgl s SER 108 Cb 0.08 0.55 0.08 0.00 0.10 0.00 0.00 66.02 66.84 1qgl s SER 108 CO 0.83 -0.90 0.66 0.86 0.98 0.00 0.00 173.24 175.67 1qgl s TRP 109 N -3.62 -1.01 0.03 5.02 -0.00 -0.14 -2.39 118.94 116.83 1qgl s TRP 109 Ca 0.02 2.03 0.01 0.00 -0.00 0.00 0.00 56.10 58.16 1qgl s TRP 109 Cb -0.01 0.59 -0.02 0.00 -0.00 0.00 0.00 33.47 34.02 1qgl s TRP 109 CO -0.12 -0.50 -0.06 -1.54 -0.00 0.00 0.00 176.95 174.73 1qgl s SER 110 N 1.58 0.58 -0.06 5.86 1.04 0.36 0.46 113.70 123.53 1qgl s SER 110 Ca -0.10 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 55.72 1qgl s SER 110 Cb -0.05 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.15 1qgl s SER 110 CO -0.19 -0.26 0.20 0.12 0.98 0.00 0.00 173.24 174.09 1qgl s PHE 111 N -1.50 -0.17 -0.01 5.02 5.36 -0.20 -1.25 117.98 125.23 1qgl s PHE 111 Ca -0.12 0.40 0.01 0.00 -0.96 0.00 0.00 56.93 56.26 1qgl s PHE 111 Cb -0.09 0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.64 1qgl s PHE 111 CO -0.00 -0.15 -0.01 0.99 -1.46 0.00 0.00 175.22 174.58 1qgl s THR 112 N -0.24 0.16 -0.01 0.12 2.01 -0.22 -1.73 115.64 115.73 1qgl s THR 112 Ca -0.03 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 1qgl s THR 112 Cb -0.03 -0.17 0.02 0.00 0.01 0.00 0.00 72.50 72.33 1qgl s THR 112 CO 0.01 0.07 0.02 -0.55 -0.69 0.00 0.00 174.62 173.48 1qgl s SER 113 N 0.22 0.04 0.00 3.53 0.15 -0.19 -0.54 113.70 116.92 1qgl s SER 113 Ca -0.02 0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.68 1qgl s SER 113 Cb -0.04 -0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1qgl s SER 113 CO -0.01 -0.08 -0.07 -0.54 1.20 0.00 0.00 173.24 173.74 1qgl s LYS 114 N 0.68 0.54 -0.19 5.44 1.02 0.98 -1.45 119.74 126.76 1qgl s LYS 114 Ca -0.06 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1qgl s LYS 114 Cb -0.08 -0.49 0.04 0.00 -0.52 0.00 0.00 37.83 36.78 1qgl s LYS 114 CO -0.02 0.13 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.95 1qgl s LEU 115 N -0.41 1.99 -0.20 3.17 1.43 -0.14 -1.31 118.68 123.22 1qgl s LEU 115 Ca 0.01 -0.80 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1qgl s LEU 115 Cb -0.04 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 1qgl s LEU 115 CO -0.00 -0.17 -0.01 -0.54 0.23 0.00 0.00 176.35 175.86 1qgl s LYS 116 N 1.50 3.59 0.39 1.70 1.02 -0.21 -0.68 119.74 127.06 1qgl s LYS 116 Ca -0.01 -0.54 0.05 0.00 0.02 0.00 0.00 55.97 55.50 1qgl s LYS 116 Cb -0.16 -3.04 0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1qgl s LYS 116 CO -0.08 0.02 0.44 0.45 -0.92 0.00 0.00 175.35 175.27 1qgl n SER 117 N 4.20 1.78 -1.97 2.83 2.88 -1.18 0.22 113.62 122.38 1qgl n SER 117 Ca -0.17 -2.17 -0.08 0.00 -1.33 0.00 0.00 58.87 55.12 1qgl n SER 117 Cb 0.52 -0.18 -0.11 0.00 -0.75 0.00 0.00 64.21 63.68 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 -2.26 4.37 -4.14 -3.46 4.13 -1.23 -4.63 115.26 108.04 1qgl n ASN 118 Ca 0.06 -2.28 -0.09 0.00 1.68 0.00 0.00 54.58 53.94 1qgl n ASN 118 Cb 0.42 -1.13 -0.10 0.00 -1.54 0.00 0.00 39.78 37.44 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 2.13 0.74 -0.26 6.41 0.01 -1.26 -5.11 113.70 116.36 1qgl s SER 119 Ca 0.43 -1.06 -0.29 0.00 1.31 0.00 0.00 55.95 56.34 1qgl s SER 119 Cb 0.21 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.59 1qgl s SER 119 CO 0.00 -0.58 1.73 0.42 0.41 0.00 0.00 173.24 175.22 1qgl s THR 120 N -3.82 3.55 -1.64 1.44 -4.23 -1.26 -3.40 115.64 106.28 1qgl s THR 120 Ca 0.14 0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 61.12 1qgl s THR 120 Cb 0.07 -3.63 0.11 0.00 1.34 0.00 0.00 72.50 70.38 1qgl s THR 120 CO -0.05 -0.33 0.57 1.57 -0.54 0.00 0.00 174.62 175.85 1qgl n HIS 121 N 9.34 -1.58 -3.57 3.99 -0.00 -1.26 -4.90 115.22 117.23 1qgl n HIS 121 Ca 0.21 0.75 -0.39 0.00 0.46 0.00 0.00 57.72 58.75 1qgl n HIS 121 Cb 0.46 -2.99 -0.05 0.00 -0.12 0.00 0.00 29.99 27.29 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 -6.94 3.36 -0.12 1.57 2.02 -1.22 -5.03 118.70 112.34 1qgl s GLU 122 Ca 0.48 -3.07 -0.03 0.00 0.02 0.00 0.00 54.97 52.36 1qgl s GLU 122 Cb -0.27 -4.07 -0.03 0.00 0.10 0.00 0.00 34.13 29.86 1qgl s GLU 122 CO 0.94 -1.25 -0.01 0.99 0.02 0.00 0.00 175.26 175.96 1qgl s THR 123 N -0.99 4.20 -0.11 3.63 2.01 -1.26 -3.12 115.64 120.00 1qgl s THR 123 Ca 0.25 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1qgl s THR 123 Cb -0.10 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 1qgl s THR 123 CO -0.10 0.55 0.03 0.20 -0.69 0.00 0.00 174.62 174.60 1qgl s ASN 124 N -0.28 5.40 -0.01 3.53 -0.87 0.15 -4.97 114.94 117.90 1qgl s ASN 124 Ca 0.06 0.15 -0.13 0.00 -1.57 0.00 0.00 52.86 51.37 1qgl s ASN 124 Cb -0.12 -1.65 0.02 0.00 -0.02 0.00 0.00 41.25 39.47 1qgl s ASN 124 CO 0.02 0.33 0.27 0.00 -2.57 0.00 0.00 177.10 175.16 1qgl s ALA 125 N -0.61 -0.69 -0.03 0.60 0.00 -1.26 -0.96 121.76 118.80 1qgl s ALA 125 Ca 0.10 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.32 1qgl s ALA 125 Cb -0.12 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1qgl s ALA 125 CO 0.02 -0.25 -0.07 -1.17 0.00 0.00 0.00 175.76 174.29 1qgl s LEU 126 N -1.32 1.63 -0.10 0.00 2.96 -0.53 -5.00 118.68 116.31 1qgl s LEU 126 Ca -0.14 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 1qgl s LEU 126 Cb -0.06 -0.52 0.05 0.00 0.50 0.00 0.00 46.19 46.16 1qgl s LEU 126 CO 0.04 0.02 0.23 -2.28 -1.32 0.00 0.00 176.35 173.03 1qgl s HIS 127 N 0.47 -0.31 0.05 5.38 5.65 -1.26 -1.03 115.29 124.24 1qgl s HIS 127 Ca -0.07 0.77 0.03 0.00 0.25 0.00 0.00 55.06 56.04 1qgl s HIS 127 Cb -0.11 -0.03 -0.03 0.00 -1.18 0.00 0.00 32.58 31.23 1qgl s HIS 127 CO 0.01 -0.26 -0.10 -0.59 -0.65 0.00 0.00 174.74 173.15 1qgl s PHE 128 N 1.68 0.85 -0.06 3.88 -0.12 -0.70 -5.00 117.98 118.51 1qgl s PHE 128 Ca -0.05 -0.48 -0.02 0.00 -0.05 0.00 0.00 56.93 56.33 1qgl s PHE 128 Cb -0.11 -0.49 0.04 0.00 -0.63 0.00 0.00 43.02 41.82 1qgl s PHE 128 CO -0.08 -0.04 0.11 1.41 -0.05 0.00 0.00 175.22 176.57 1qgl s MET 129 N -1.61 0.00 -0.20 1.99 1.75 -1.26 -1.03 119.30 118.95 1qgl s MET 129 Ca -0.07 0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 54.77 1qgl s MET 129 Cb -0.10 -0.31 0.01 0.00 2.84 0.00 0.00 34.83 37.27 1qgl s MET 129 CO 0.01 -0.26 -0.13 -0.06 -0.65 0.00 0.00 175.02 173.93 1qgl s PHE 130 N 1.81 2.86 -0.32 4.11 0.08 0.17 -4.93 117.98 121.77 1qgl s PHE 130 Ca -0.01 -1.36 0.07 0.00 0.12 0.00 0.00 56.93 55.75 1qgl s PHE 130 Cb -0.12 -2.00 -0.08 0.00 -0.57 0.00 0.00 43.02 40.25 1qgl s PHE 130 CO -0.05 -0.70 0.29 0.09 -0.10 0.00 0.00 175.22 174.76 1qgl n ASN 131 N 4.69 0.55 -3.71 1.36 3.02 -1.26 -0.97 115.26 118.94 1qgl n ASN 131 Ca -0.20 -0.62 -0.12 0.00 -0.03 0.00 0.00 54.58 53.61 1qgl n ASN 131 Cb 0.50 1.02 -0.13 0.00 -0.61 0.00 0.00 39.78 40.57 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 -1.73 0.22 0.01 3.52 0.74 -1.26 -4.75 119.66 116.40 1qgl s GLN 132 Ca 0.02 0.60 -0.02 0.00 0.05 0.00 0.00 55.36 56.02 1qgl s GLN 132 Cb 0.05 -0.09 -0.04 0.00 1.10 0.00 0.00 33.01 34.03 1qgl s GLN 132 CO 0.30 -0.19 0.17 -0.06 -0.55 0.00 0.00 175.29 174.96 1qgl s PHE 133 N 1.50 3.50 0.32 1.67 0.08 -0.14 -5.05 117.98 119.86 1qgl s PHE 133 Ca -0.07 0.30 0.09 0.00 0.12 0.00 0.00 56.93 57.37 1qgl s PHE 133 Cb -0.10 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 1qgl s PHE 133 CO -0.09 0.62 -0.01 -1.54 -0.10 0.00 0.00 175.22 174.09 1qgl s SER 134 N -2.08 4.18 0.31 1.36 1.04 -1.26 -4.28 113.70 112.96 1qgl s SER 134 Ca 0.29 -0.93 0.07 0.00 0.48 0.00 0.00 55.95 55.85 1qgl s SER 134 Cb -0.13 -0.56 0.79 0.00 0.10 0.00 0.00 66.02 66.22 1qgl s SER 134 CO 0.21 -0.17 1.74 0.50 0.98 0.00 0.00 173.24 176.50 1qgl h LYS 135 N 1.87 0.60 -3.26 4.02 3.64 -1.87 -3.12 116.57 118.47 1qgl h LYS 135 Ca -0.43 -0.04 -0.63 0.00 -1.27 0.00 0.00 60.65 58.29 1qgl h LYS 135 Cb 1.25 -0.14 -0.41 0.00 -0.41 0.00 0.00 32.23 32.52 1qgl h LYS 135 CO 0.65 0.40 -0.62 0.34 -2.27 0.00 0.00 179.45 177.95 1qgl s ASP 136 N -5.29 4.41 -1.01 4.20 2.15 -1.26 -4.74 116.67 115.14 1qgl s ASP 136 Ca -0.11 -3.27 -0.16 0.00 0.43 0.00 0.00 52.55 49.44 1qgl s ASP 136 Cb 0.26 -1.60 0.16 0.00 -0.30 0.00 0.00 42.92 41.44 1qgl s ASP 136 CO 0.79 -0.18 1.17 -1.58 -0.17 0.00 0.00 175.17 175.20 1qgl s GLN 137 N -0.63 3.77 0.21 4.34 2.00 -1.18 -4.88 119.66 123.28 1qgl s GLN 137 Ca 0.20 -2.15 0.20 0.00 -2.00 0.00 0.00 55.36 51.61 1qgl s GLN 137 Cb -0.19 -4.88 0.88 0.00 0.80 0.00 0.00 33.01 29.62 1qgl s GLN 137 CO -0.06 -1.69 1.60 1.63 -0.50 0.00 0.00 175.29 176.28 1qgl n LYS 138 N 5.80 0.13 -0.83 1.67 5.02 -1.26 -2.60 118.16 126.10 1qgl n LYS 138 Ca 0.26 0.44 0.07 0.00 -2.02 0.00 0.00 58.31 57.06 1qgl n LYS 138 Cb 0.47 -1.80 0.38 0.00 -0.02 0.00 0.00 35.03 34.06 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 -2.06 5.40 -4.06 4.39 5.68 -1.26 -4.87 116.55 119.78 1qgl n ASP 139 Ca 0.01 -2.84 -0.22 0.00 -0.50 0.00 0.00 54.79 51.24 1qgl n ASP 139 Cb 0.16 -0.67 -0.15 0.00 -1.14 0.00 0.00 41.12 39.32 1qgl n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1qgl s LEU 140 N -2.53 1.91 -0.42 -2.12 1.43 -1.07 -0.96 118.68 114.92 1qgl s LEU 140 Ca 0.51 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.23 1qgl s LEU 140 Cb 0.39 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.97 1qgl s LEU 140 CO 0.16 0.12 0.33 -0.63 0.23 0.00 0.00 176.35 176.56 1qgl s ILE 141 N -0.04 5.22 -0.07 -0.59 1.01 0.11 -4.86 121.20 122.00 1qgl s ILE 141 Ca 0.00 -0.64 -0.19 0.00 0.00 0.00 0.00 60.65 59.82 1qgl s ILE 141 Cb -0.07 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 1qgl s ILE 141 CO 0.00 -0.36 0.52 -0.76 0.00 0.00 0.00 174.94 174.35 1qgl s LEU 142 N 1.76 4.34 0.12 2.97 1.43 -1.26 -1.41 118.68 126.64 1qgl s LEU 142 Ca 0.06 0.97 0.07 0.00 -1.03 0.00 0.00 54.13 54.20 1qgl s LEU 142 Cb -0.19 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1qgl s LEU 142 CO 0.10 0.05 -0.18 -1.10 0.23 0.00 0.00 176.35 175.46 1qgl s GLN 143 N 0.22 1.12 5.87 1.70 -0.21 0.02 -4.99 119.66 123.38 1qgl s GLN 143 Ca 0.28 -1.24 0.00 0.00 0.02 0.00 0.00 55.36 54.42 1qgl s GLN 143 Cb -0.16 -1.19 0.00 0.00 1.00 0.00 0.00 33.01 32.66 1qgl s GLN 143 CO 0.13 0.25 0.00 0.41 -2.12 0.00 0.00 175.29 173.97 1qgl n GLY 144 N 0.70 2.42 0.43 3.09 0.00 -1.26 -1.34 105.19 109.23 1qgl n GLY 144 Ca -0.17 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 2.46 1.29 -4.77 1.61 8.00 0.49 -4.92 116.55 120.69 1qgl n ASP 145 Ca 0.00 -1.70 -0.41 0.00 0.71 0.00 0.00 54.79 53.39 1qgl n ASP 145 Cb 0.00 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 1qgl n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qgl s ALA 146 N -1.81 3.58 0.08 2.24 0.00 -1.15 -4.40 121.76 120.30 1qgl s ALA 146 Ca 0.29 1.51 -0.10 0.00 0.00 0.00 0.00 51.96 53.66 1qgl s ALA 146 Cb 0.15 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1qgl s ALA 146 CO 0.23 -0.97 0.22 0.95 0.00 0.00 0.00 175.76 176.19 1qgl s THR 147 N -0.99 0.12 0.43 0.00 -4.23 -0.39 -4.77 115.64 105.81 1qgl s THR 147 Ca 0.53 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 1qgl s THR 147 Cb -0.45 -1.20 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 1qgl s THR 147 CO 0.59 -0.56 0.10 0.42 -0.54 0.00 0.00 174.62 174.63 1qgl s THR 148 N -3.47 0.74 0.00 3.99 -4.23 -1.26 -0.33 115.64 111.07 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 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.54 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 2.77 3.56 3.99 0.00 -1.15 -4.61 105.19 108.77 1qgl n GLY 149 Ca -0.08 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.75 3.17 -0.61 2.61 2.01 -1.26 -2.26 115.64 117.55 1qgl s THR 150 Ca 0.00 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1qgl s THR 150 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1qgl s THR 150 CO 0.00 -0.38 0.00 0.47 -0.69 0.00 0.00 174.62 174.02 1qgl n ASP 151 N 16.07 -4.19 0.00 3.53 8.00 -1.26 -2.39 116.55 136.31 1qgl n ASP 151 Ca 0.39 0.14 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1qgl n ASP 151 Cb 0.48 -2.20 0.00 0.00 -0.02 0.00 0.00 41.12 39.38 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 -1.62 0.53 3.97 0.44 0.00 -0.96 -4.99 105.19 102.56 1qgl n GLY 152 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 5.52 -0.26 1.61 0.01 -1.01 -0.97 114.94 117.81 1qgl s ASN 153 Ca 0.00 -0.48 -0.06 0.00 -0.71 0.00 0.00 52.86 51.61 1qgl s ASN 153 Cb 0.00 -0.70 -0.01 0.00 0.41 0.00 0.00 41.25 40.95 1qgl s ASN 153 CO 0.00 -0.69 0.04 -0.22 -1.51 0.00 0.00 177.10 174.72 1qgl s LEU 154 N -4.26 3.42 -0.46 0.60 2.96 -0.40 -2.94 118.68 117.60 1qgl s LEU 154 Ca 0.52 -0.46 -0.15 0.00 -0.22 0.00 0.00 54.13 53.82 1qgl s LEU 154 Cb -0.08 -1.85 0.07 0.00 0.50 0.00 0.00 46.19 44.83 1qgl s LEU 154 CO 0.31 -0.09 0.37 -1.61 -1.32 0.00 0.00 176.35 174.02 1qgl s GLU 155 N 1.53 2.95 0.39 1.98 0.41 0.55 -0.56 118.70 125.93 1qgl s GLU 155 Ca 0.05 -1.33 0.17 0.00 -0.41 0.00 0.00 54.97 53.44 1qgl s GLU 155 Cb -0.16 -4.09 0.80 0.00 -1.78 0.00 0.00 34.13 28.91 1qgl s GLU 155 CO 0.01 -1.00 1.83 -0.07 -0.49 0.00 0.00 175.26 175.54 1qgl h LEU 156 N 8.71 0.00 -8.86 1.80 3.38 -1.68 -1.03 115.31 117.63 1qgl h LEU 156 Ca -0.28 0.00 -0.40 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 0.85 0.35 -0.69 0.42 0.09 0.00 0.00 178.44 179.46 1qgl s THR 157 N -3.99 1.32 0.15 0.22 -4.23 -1.26 -2.91 115.64 104.94 1qgl s THR 157 Ca -0.02 -2.09 -0.34 0.00 -1.18 0.00 0.00 61.69 58.06 1qgl s THR 157 Cb 0.13 -2.15 -0.14 0.00 1.34 0.00 0.00 72.50 71.68 1qgl s THR 157 CO 0.69 -0.50 1.61 0.54 -0.54 0.00 0.00 174.62 176.42 1qgl n ARG 158 N -0.37 2.20 -4.54 3.99 1.74 -1.26 -4.77 116.66 113.64 1qgl n ARG 158 Ca -0.07 0.79 -0.21 0.00 -0.77 0.00 0.00 57.85 57.59 1qgl n ARG 158 Cb 0.62 -2.57 -0.15 0.00 -1.02 0.00 0.00 32.46 29.34 1qgl n ARG 158 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qgl s VAL 159 N 1.12 0.95 0.63 1.55 1.01 -1.26 -2.35 120.40 122.05 1qgl s VAL 159 Ca 0.79 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1qgl s VAL 159 Cb -0.67 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1qgl s VAL 159 CO 0.38 0.27 0.98 -0.94 0.00 0.00 0.00 175.10 175.79 1qgl s SER 160 N -0.28 5.59 0.30 3.32 1.04 -0.08 -4.90 113.70 118.69 1qgl s SER 160 Ca 0.05 0.91 0.04 0.00 0.48 0.00 0.00 55.95 57.43 1qgl s SER 160 Cb -0.05 -1.85 0.79 0.00 0.10 0.00 0.00 66.02 65.02 1qgl s SER 160 CO -0.00 -1.14 1.62 0.77 0.98 0.00 0.00 173.24 175.46 1qgl h SER 161 N -0.35 -0.08 0.00 7.02 4.64 -2.01 0.62 113.55 123.38 1qgl h SER 161 Ca -0.45 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1qgl h SER 161 Cb 1.25 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1qgl h SER 161 CO 0.62 -0.23 0.00 -0.46 -0.87 0.00 0.00 176.83 175.89 1qgl n ASN 162 N -5.29 0.36 0.00 4.97 0.23 -1.26 -4.86 115.26 109.40 1qgl n ASN 162 Ca 0.24 -1.83 0.00 0.00 -0.53 0.00 0.00 54.58 52.46 1qgl n ASN 162 Cb 0.77 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.27 0.51 3.79 4.83 0.00 0.22 -5.04 105.19 109.78 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 -2.16 6.80 0.80 1.61 1.04 -1.25 -4.77 113.70 115.78 1qgl s SER 164 Ca 0.00 0.96 -0.12 0.00 0.48 0.00 0.00 55.95 57.27 1qgl s SER 164 Cb 0.00 -2.28 0.08 0.00 0.10 0.00 0.00 66.02 63.92 1qgl s SER 164 CO 0.00 0.21 1.13 -2.16 0.98 0.00 0.00 173.24 173.40 1qgl s PRO 165 N -0.50 1.89 0.12 4.02 0.04 -1.26 -0.90 135.00 138.40 1qgl s PRO 165 Ca 0.25 1.42 0.07 0.00 0.04 0.00 0.00 61.00 62.77 1qgl s PRO 165 Cb -0.17 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1qgl s PRO 165 CO 0.13 -1.96 -0.16 -0.65 0.04 0.00 0.00 177.00 174.40 1qgl s GLN 166 N -4.57 1.06 0.70 4.56 -0.21 -0.99 -4.85 119.66 115.37 1qgl s GLN 166 Ca 0.66 -1.22 -0.07 0.00 0.02 0.00 0.00 55.36 54.75 1qgl s GLN 166 Cb -0.21 -1.07 0.05 0.00 1.00 0.00 0.00 33.01 32.78 1qgl s GLN 166 CO 0.53 0.22 1.03 0.20 -2.12 0.00 0.00 175.29 175.15 1qgl s GLY 167 N -2.29 1.66 -1.42 3.09 0.00 -1.26 -4.34 107.32 102.76 1qgl s GLY 167 Ca 0.08 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.95 1qgl s GLY 167 CO 0.04 -0.43 0.52 1.44 0.00 0.00 0.00 173.10 174.67 1qgl n SER 168 N -2.93 -0.90 -4.38 1.64 7.64 -0.30 -4.87 113.62 109.52 1qgl n SER 168 Ca 0.07 -0.97 -0.30 0.00 1.01 0.00 0.00 58.87 58.69 1qgl n SER 168 Cb 0.60 -3.23 -0.14 0.00 -1.01 0.00 0.00 64.21 60.43 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 -4.23 3.32 -0.12 6.43 0.15 -1.18 -4.95 113.70 113.11 1qgl s SER 169 Ca 0.10 -0.60 -0.09 0.00 0.70 0.00 0.00 55.95 56.06 1qgl s SER 169 Cb -0.05 -0.33 0.04 0.00 -1.71 0.00 0.00 66.02 63.96 1qgl s SER 169 CO 0.88 0.24 0.31 0.54 1.20 0.00 0.00 173.24 176.41 1qgl s VAL 170 N -0.89 -0.02 -0.01 4.45 0.11 -1.26 -0.89 120.40 121.89 1qgl s VAL 170 Ca 0.13 0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 59.01 1qgl s VAL 170 Cb -0.10 -0.45 0.05 0.00 -1.53 0.00 0.00 36.38 34.34 1qgl s VAL 170 CO 0.04 0.02 0.49 -0.83 -3.33 0.00 0.00 175.10 171.49 1qgl s GLY 171 N 0.69 -0.36 0.04 6.54 0.00 -0.99 -0.38 107.32 112.86 1qgl s GLY 171 Ca -0.04 0.74 -0.01 0.00 0.00 0.00 0.00 44.72 45.41 1qgl s GLY 171 CO -0.04 0.46 -0.03 0.50 0.00 0.00 0.00 173.10 173.99 1qgl s ARG 172 N -1.53 0.54 -0.07 2.90 0.52 -0.45 -2.22 118.95 118.64 1qgl s ARG 172 Ca -0.11 -1.07 -0.02 0.00 -0.52 0.00 0.00 55.73 54.02 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 0.05 -0.10 0.04 0.00 0.02 0.00 0.00 175.30 175.31 1qgl s ALA 173 N -3.31 0.46 0.00 2.13 0.00 -0.31 -0.80 121.76 119.93 1qgl s ALA 173 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.01 1qgl s ALA 173 Cb 0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1qgl s ALA 173 CO -0.08 -0.58 -0.16 -0.51 0.00 0.00 0.00 175.76 174.43 1qgl s LEU 174 N 2.08 2.67 0.32 0.00 1.02 -0.50 -1.16 118.68 123.12 1qgl s LEU 174 Ca 0.04 -0.32 -0.29 0.00 0.02 0.00 0.00 54.13 53.58 1qgl s LEU 174 Cb -0.13 -1.55 -0.10 0.00 0.02 0.00 0.00 46.19 44.43 1qgl s LEU 174 CO -0.05 0.29 1.33 0.12 0.02 0.00 0.00 176.35 178.06 1qgl s PHE 175 N -0.85 3.03 0.25 0.29 5.36 -0.67 0.09 117.98 125.48 1qgl s PHE 175 Ca 0.14 1.37 -0.04 0.00 -0.96 0.00 0.00 56.93 57.43 1qgl s PHE 175 Cb -0.11 -3.70 0.37 0.00 -0.34 0.00 0.00 43.02 39.25 1qgl s PHE 175 CO 0.03 -1.97 1.84 -0.92 -1.46 0.00 0.00 175.22 172.75 1qgl h TYR 176 N 3.58 1.00 -3.35 10.12 3.20 -1.38 -3.44 116.97 126.70 1qgl h TYR 176 Ca -0.49 0.03 -0.55 0.00 3.14 0.00 0.00 58.73 60.86 1qgl h TYR 176 Cb 1.23 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 1qgl h TYR 176 CO 0.56 0.48 0.03 0.00 -1.64 0.00 0.00 178.16 177.59 1qgl s ALA 177 N -6.04 3.54 0.61 1.82 0.00 -1.26 -5.01 121.76 115.41 1qgl s ALA 177 Ca -0.12 0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.76 1qgl s ALA 177 Cb 0.19 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 1qgl s ALA 177 CO 0.79 0.37 1.16 -2.14 0.00 0.00 0.00 175.76 175.95 1qgl s PRO 178 N -1.33 2.93 -0.09 0.00 0.02 -1.26 -4.80 135.00 130.47 1qgl s PRO 178 Ca 0.33 1.66 0.02 0.00 0.02 0.00 0.00 61.00 63.04 1qgl s PRO 178 Cb -0.19 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.37 1qgl s PRO 178 CO 0.21 -1.20 -0.16 0.08 -0.33 0.00 0.00 177.00 175.60 1qgl s VAL 179 N -1.86 2.89 -0.85 3.83 1.01 0.19 -4.93 120.40 120.68 1qgl s VAL 179 Ca 0.73 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 1qgl s VAL 179 Cb -0.26 -2.16 0.13 0.00 0.00 0.00 0.00 36.38 34.09 1qgl s VAL 179 CO 0.35 0.56 1.04 -2.28 0.00 0.00 0.00 175.10 174.76 1qgl s HIS 180 N -0.15 3.10 0.19 5.22 2.46 -1.26 -1.35 115.29 123.49 1qgl s HIS 180 Ca -0.01 -1.28 0.08 0.00 0.47 0.00 0.00 55.06 54.32 1qgl s HIS 180 Cb -0.14 -4.22 0.05 0.00 -0.13 0.00 0.00 32.58 28.14 1qgl s HIS 180 CO 0.03 -1.45 1.43 0.97 -2.47 0.00 0.00 174.74 173.25 1qgl h ILE 181 N 5.78 1.59 -3.47 0.89 6.09 -1.72 -3.46 117.51 123.20 1qgl h ILE 181 Ca 0.05 -2.83 -0.04 0.00 -1.37 0.00 0.00 64.86 60.67 1qgl h ILE 181 Cb 1.04 2.53 -0.10 0.00 0.47 0.00 0.00 36.82 40.75 1qgl h ILE 181 CO 1.09 0.81 -0.06 -1.66 -3.07 0.00 0.00 178.15 175.26 1qgl s TRP 182 N -3.12 0.07 -0.28 2.19 1.48 -1.23 -4.73 118.94 113.31 1qgl s TRP 182 Ca -0.00 -0.42 -0.17 0.00 -1.06 0.00 0.00 56.10 54.44 1qgl s TRP 182 Cb 0.11 0.28 0.09 0.00 -1.16 0.00 0.00 33.47 32.79 1qgl s TRP 182 CO 0.79 -0.90 0.74 -2.00 -4.06 0.00 0.00 176.95 171.52 1qgl s GLU 183 N -3.92 0.68 0.54 3.25 2.12 -1.26 -4.77 118.70 115.34 1qgl s GLU 183 Ca 0.13 1.12 0.31 0.00 0.36 0.00 0.00 54.97 56.89 1qgl s GLU 183 Cb -0.00 0.16 1.48 0.00 0.26 0.00 0.00 34.13 36.02 1qgl s GLU 183 CO 0.00 -0.13 1.90 0.66 -0.54 0.00 0.00 175.26 177.15 1qgl h SER 184 N 6.64 0.00 -0.33 -1.70 4.64 -2.02 -0.67 113.55 120.12 1qgl h SER 184 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1qgl h SER 184 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1qgl h SER 184 CO 0.15 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.57 1qgl n SER 185 N -4.27 2.46 -4.74 4.97 3.41 -1.26 -4.94 113.62 109.25 1qgl n SER 185 Ca 0.17 -1.88 -0.41 0.00 -0.26 0.00 0.00 58.87 56.49 1qgl n SER 185 Cb 0.92 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.61 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 -1.57 3.33 0.02 7.33 0.00 -0.26 -3.53 121.76 127.09 1qgl s ALA 186 Ca 0.34 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 1qgl s ALA 186 Cb 0.19 -3.30 -0.34 0.00 0.00 0.00 0.00 23.12 19.67 1qgl s ALA 186 CO 0.26 -0.07 0.96 0.28 0.00 0.00 0.00 175.76 177.19 1qgl h VAL 187 N 3.68 1.25 -2.75 0.00 2.07 -0.49 -3.46 116.25 116.55 1qgl h VAL 187 Ca -0.44 -2.73 -0.13 0.00 0.82 0.00 0.00 66.70 64.22 1qgl h VAL 187 Cb 1.21 2.98 -0.26 0.00 -1.52 0.00 0.00 31.29 33.70 1qgl h VAL 187 CO 0.71 0.83 -0.30 0.54 0.02 0.00 0.00 177.57 179.37 1qgl s VAL 188 N -2.61 -0.01 -0.01 2.57 0.11 -1.04 -4.85 120.40 114.56 1qgl s VAL 188 Ca -0.09 0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.06 1qgl s VAL 188 Cb 0.05 -0.56 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1qgl s VAL 188 CO 0.92 0.02 -0.16 0.00 -3.33 0.00 0.00 175.10 172.55 1qgl s ALA 189 N 0.82 1.38 0.07 1.54 0.00 -1.26 -1.04 121.76 123.27 1qgl s ALA 189 Ca -0.05 -0.71 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 1qgl s ALA 189 Cb -0.06 -0.36 0.07 0.00 0.00 0.00 0.00 23.12 22.77 1qgl s ALA 189 CO -0.06 0.33 0.65 -1.54 0.00 0.00 0.00 175.76 175.14 1qgl s SER 190 N -0.35 -0.59 0.11 0.00 1.04 -0.42 0.39 113.70 113.88 1qgl s SER 190 Ca 0.06 0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.65 1qgl s SER 190 Cb -0.07 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 1qgl s SER 190 CO -0.00 -0.82 0.23 0.72 0.98 0.00 0.00 173.24 174.35 1qgl s PHE 191 N -2.79 0.21 -0.07 5.02 -0.12 -0.82 -0.01 117.98 119.39 1qgl s PHE 191 Ca -0.03 -0.61 -0.07 0.00 -0.05 0.00 0.00 56.93 56.17 1qgl s PHE 191 Cb -0.01 -0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.36 1qgl s PHE 191 CO -0.05 -0.61 0.19 -2.00 -0.05 0.00 0.00 175.22 172.71 1qgl s GLU 192 N -3.89 0.25 0.01 1.99 2.12 0.30 -2.29 118.70 117.19 1qgl s GLU 192 Ca 0.09 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.64 1qgl s GLU 192 Cb 0.04 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.55 1qgl s GLU 192 CO -0.08 -0.04 -0.03 0.00 -0.54 0.00 0.00 175.26 174.57 1qgl s ALA 193 N -0.02 0.25 -0.02 6.30 0.00 0.03 -1.05 121.76 127.24 1qgl s ALA 193 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1qgl s ALA 193 Cb -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1qgl s ALA 193 CO 0.00 0.02 0.06 0.99 0.00 0.00 0.00 175.76 176.83 1qgl s THR 194 N -0.38 -0.00 -0.06 0.00 2.01 -0.38 -0.32 115.64 116.51 1qgl s THR 194 Ca -0.02 0.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.81 1qgl s THR 194 Cb -0.03 -0.09 0.04 0.00 0.01 0.00 0.00 72.50 72.42 1qgl s THR 194 CO -0.00 0.01 0.42 0.72 -0.69 0.00 0.00 174.62 175.07 1qgl s PHE 195 N 0.12 -0.35 -0.05 4.92 -0.71 -0.90 -0.49 117.98 120.52 1qgl s PHE 195 Ca -0.01 0.65 0.02 0.00 -1.04 0.00 0.00 56.93 56.55 1qgl s PHE 195 Cb -0.01 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.94 1qgl s PHE 195 CO -0.00 -0.40 -0.08 0.95 -1.34 0.00 0.00 175.22 174.35 1qgl s THR 196 N -0.95 3.62 0.16 -4.49 -4.23 -1.01 -1.00 115.64 107.75 1qgl s THR 196 Ca -0.10 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 1qgl s THR 196 Cb -0.04 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.26 1qgl s THR 196 CO 0.05 0.55 0.00 0.72 -0.54 0.00 0.00 174.62 175.40 1qgl s PHE 197 N -0.85 1.15 -0.24 3.99 -0.12 -0.21 -1.10 117.98 120.60 1qgl s PHE 197 Ca 0.13 -1.04 -0.03 0.00 -0.05 0.00 0.00 56.93 55.94 1qgl s PHE 197 Cb -0.11 -0.66 0.08 0.00 -0.63 0.00 0.00 43.02 41.70 1qgl s PHE 197 CO 0.03 -0.24 0.09 -1.17 -0.05 0.00 0.00 175.22 173.87 1qgl s LEU 198 N -3.15 0.96 -0.29 -1.99 2.96 0.26 -0.38 118.68 117.04 1qgl s LEU 198 Ca 0.23 -1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 52.99 1qgl s LEU 198 Cb 0.06 -0.48 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 1qgl s LEU 198 CO 0.03 -0.38 0.15 -0.63 -1.32 0.00 0.00 176.35 174.20 1qgl s ILE 199 N 1.96 4.73 -0.04 6.68 1.01 -1.26 -2.38 121.20 131.90 1qgl s ILE 199 Ca 0.05 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1qgl s ILE 199 Cb -0.17 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1qgl s ILE 199 CO -0.20 0.17 -0.13 -0.75 0.00 0.00 0.00 174.94 174.03 1qgl s LYS 200 N 1.65 1.45 -0.03 2.79 2.20 -1.23 -1.36 119.74 125.21 1qgl s LYS 200 Ca 0.06 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.26 1qgl s LYS 200 Cb -0.16 -1.26 0.00 0.00 -1.51 0.00 0.00 37.83 34.90 1qgl s LYS 200 CO 0.07 0.13 -0.10 0.45 -0.36 0.00 0.00 175.35 175.54 1qgl s SER 201 N 0.30 1.31 0.44 1.43 0.15 -1.26 -1.23 113.70 114.84 1qgl s SER 201 Ca -0.07 -0.20 0.11 0.00 0.70 0.00 0.00 55.95 56.49 1qgl s SER 201 Cb -0.12 -0.34 0.99 0.00 -1.71 0.00 0.00 66.02 64.84 1qgl s SER 201 CO 0.02 0.08 2.05 -0.65 1.20 0.00 0.00 173.24 175.94 1qgl h PRO 202 N 6.34 0.25 0.00 5.44 0.11 -1.97 -3.45 132.00 138.73 1qgl h PRO 202 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1qgl h PRO 202 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1qgl h PRO 202 CO 0.49 0.23 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 1qgl n ASP 203 N -4.44 0.54 -1.05 -2.05 5.75 -1.26 -5.04 116.55 109.00 1qgl n ASP 203 Ca -0.00 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 1qgl n ASP 203 Cb 0.13 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.49 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 4.00 -3.59 -1.12 3.41 -1.26 -4.75 113.62 110.31 1qgl n SER 204 Ca 0.00 -2.67 -0.28 0.00 -0.26 0.00 0.00 58.87 55.66 1qgl n SER 204 Cb 0.00 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.35 1qgl n SER 204 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1qgl s HIS 205 N -2.22 2.02 0.50 7.33 3.76 -1.26 -5.12 115.29 120.30 1qgl s HIS 205 Ca 0.40 -2.68 -0.19 0.00 -0.15 0.00 0.00 55.06 52.45 1qgl s HIS 205 Cb 0.29 -1.61 -0.08 0.00 1.11 0.00 0.00 32.58 32.29 1qgl s HIS 205 CO 0.14 -0.72 1.01 -2.14 -0.85 0.00 0.00 174.74 172.17 1qgl s PRO 206 N -0.44 3.83 -0.06 8.40 0.02 -1.26 -4.30 135.00 141.20 1qgl s PRO 206 Ca 0.29 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.19 1qgl s PRO 206 Cb -0.02 -2.11 0.09 0.00 0.02 0.00 0.00 34.50 32.49 1qgl s PRO 206 CO -0.17 -0.39 0.79 0.00 -0.33 0.00 0.00 177.00 176.91 1qgl s ALA 207 N -2.29 -1.81 -0.01 -1.55 0.00 -1.25 -4.02 121.76 110.84 1qgl s ALA 207 Ca 0.63 1.28 0.08 0.00 0.00 0.00 0.00 51.96 53.95 1qgl s ALA 207 Cb -0.13 -0.08 -0.12 0.00 0.00 0.00 0.00 23.12 22.79 1qgl s ALA 207 CO 0.25 -0.43 0.17 -0.25 0.00 0.00 0.00 175.76 175.49 1qgl n ASP 208 N 0.58 3.21 0.00 0.00 8.00 -0.09 -2.44 116.55 125.80 1qgl n ASP 208 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1qgl n ASP 208 Cb 0.59 1.34 0.00 0.00 -0.02 0.00 0.00 41.12 43.02 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 2.07 2.15 3.39 0.44 0.00 -1.23 -2.32 105.19 109.69 1qgl n GLY 209 Ca -0.02 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.53 2.14 -0.09 -0.61 1.01 -0.65 -2.71 121.20 118.76 1qgl s ILE 210 Ca 0.00 -2.06 -0.13 0.00 0.00 0.00 0.00 60.65 58.47 1qgl s ILE 210 Cb 0.00 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.46 1qgl s ILE 210 CO 0.00 -0.26 0.33 0.00 0.00 0.00 0.00 174.94 175.01 1qgl s ALA 211 N -2.00 -0.81 -0.18 9.38 0.00 0.16 -0.09 121.76 128.22 1qgl s ALA 211 Ca 0.20 0.76 -0.09 0.00 0.00 0.00 0.00 51.96 52.84 1qgl s ALA 211 Cb -0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1qgl s ALA 211 CO 0.09 -0.19 0.11 0.12 0.00 0.00 0.00 175.76 175.90 1qgl s PHE 212 N -0.27 3.40 0.06 0.00 5.36 -0.68 -0.15 117.98 125.71 1qgl s PHE 212 Ca -0.04 0.31 -0.03 0.00 -0.96 0.00 0.00 56.93 56.21 1qgl s PHE 212 Cb -0.03 -2.09 -0.03 0.00 -0.34 0.00 0.00 43.02 40.52 1qgl s PHE 212 CO 0.02 0.35 0.02 -0.59 -1.46 0.00 0.00 175.22 173.55 1qgl s PHE 213 N 0.07 0.47 -0.08 10.12 -0.71 -0.25 -1.43 117.98 126.16 1qgl s PHE 213 Ca 0.08 -0.98 0.03 0.00 -1.04 0.00 0.00 56.93 55.02 1qgl s PHE 213 Cb -0.11 -0.33 0.01 0.00 -1.21 0.00 0.00 43.02 41.37 1qgl s PHE 213 CO -0.00 -0.42 -0.18 0.42 -1.34 0.00 0.00 175.22 173.70 1qgl s ILE 214 N -3.92 1.56 0.33 -4.49 1.01 -0.11 -1.13 121.20 114.46 1qgl s ILE 214 Ca 0.08 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.04 1qgl s ILE 214 Cb 0.07 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1qgl s ILE 214 CO -0.10 0.45 0.33 -0.94 0.00 0.00 0.00 174.94 174.69 1qgl s SER 215 N 0.53 1.41 0.55 3.58 1.04 -0.51 -2.10 113.70 118.21 1qgl s SER 215 Ca -0.16 -1.67 -0.19 0.00 0.48 0.00 0.00 55.95 54.40 1qgl s SER 215 Cb -0.17 0.58 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 1qgl s SER 215 CO 0.06 -1.13 1.15 0.54 0.98 0.00 0.00 173.24 174.84 1qgl s ASN 216 N -3.33 5.60 0.29 7.02 4.22 -1.22 -1.46 114.94 126.06 1qgl s ASN 216 Ca 0.38 2.25 0.02 0.00 -2.14 0.00 0.00 52.86 53.37 1qgl s ASN 216 Cb 0.02 -2.59 0.70 0.00 1.28 0.00 0.00 41.25 40.66 1qgl s ASN 216 CO 0.25 -1.30 1.67 0.40 -2.04 0.00 0.00 177.10 176.08 1qgl h ILE 217 N 1.16 0.40 -0.37 0.54 2.04 -1.85 -2.17 117.51 117.25 1qgl h ILE 217 Ca -0.50 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1qgl h ILE 217 Cb 1.27 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1qgl h ILE 217 CO 0.57 0.05 0.02 -0.90 0.00 0.00 0.00 178.15 177.89 1qgl n ASP 218 N -5.14 3.96 -4.76 1.72 5.75 -1.26 -4.80 116.55 112.02 1qgl n ASP 218 Ca 0.21 -2.61 -0.39 0.00 -0.01 0.00 0.00 54.79 52.00 1qgl n ASP 218 Cb 0.66 -0.62 0.03 0.00 -1.03 0.00 0.00 41.12 40.16 1qgl n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1qgl s SER 219 N -0.48 5.50 0.14 -1.12 0.15 -0.82 -5.04 113.70 112.04 1qgl s SER 219 Ca 0.34 2.78 -0.04 0.00 0.70 0.00 0.00 55.95 59.73 1qgl s SER 219 Cb 0.26 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 1qgl s SER 219 CO 0.10 -1.42 0.15 -0.94 1.20 0.00 0.00 173.24 172.33 1qgl s SER 220 N -0.85 0.20 -0.03 5.45 1.04 -1.26 -5.08 113.70 113.18 1qgl s SER 220 Ca 0.68 -1.07 -0.31 0.00 0.48 0.00 0.00 55.95 55.73 1qgl s SER 220 Cb -0.41 0.35 -0.09 0.00 0.10 0.00 0.00 66.02 65.97 1qgl s SER 220 CO 0.49 -0.79 1.99 -0.38 0.98 0.00 0.00 173.24 175.53 1qgl n ILE 221 N -0.14 0.67 -1.51 -1.02 5.41 -1.26 -4.94 119.36 116.57 1qgl n ILE 221 Ca -0.06 -0.17 -0.36 0.00 1.00 0.00 0.00 62.75 63.16 1qgl n ILE 221 Cb 0.63 -2.24 0.09 0.00 -0.71 0.00 0.00 39.64 37.41 1qgl n ILE 221 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1qgl n PRO 222 N 7.52 0.79 -2.18 0.38 -0.02 -1.26 -4.91 135.00 135.32 1qgl n PRO 222 Ca 0.22 0.33 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 1qgl n PRO 222 Cb 0.38 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 1qgl n PRO 222 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1qgl s SER 223 N -1.64 6.86 -1.31 2.55 0.15 -1.26 -3.33 113.70 115.72 1qgl s SER 223 Ca 0.80 2.55 -0.01 0.00 0.70 0.00 0.00 55.95 59.99 1qgl s SER 223 Cb -0.35 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.34 1qgl s SER 223 CO 0.44 -0.50 0.78 0.61 1.20 0.00 0.00 173.24 175.77 1qgl n GLY 224 N 1.43 -0.32 1.50 9.45 0.00 -1.26 -4.84 105.19 111.15 1qgl n GLY 224 Ca 0.02 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.05 3.76 -4.58 1.61 3.41 -1.21 -4.95 113.62 108.61 1qgl n SER 225 Ca -0.26 -3.80 -0.27 0.00 -0.26 0.00 0.00 58.87 54.27 1qgl n SER 225 Cb 0.66 -0.56 0.12 0.00 -0.26 0.00 0.00 64.21 64.18 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 -3.89 2.11 0.00 6.66 -4.23 -1.26 -0.27 115.64 114.75 1qgl s THR 226 Ca 0.48 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1qgl s THR 226 Cb 0.41 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1qgl s THR 226 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1qgl n GLY 227 N -3.27 2.89 0.54 3.99 0.00 -0.10 -3.35 105.19 105.89 1qgl n GLY 227 Ca 0.12 -0.36 0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.01 1.61 0.11 -1.89 -1.41 114.38 112.79 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 -3.70 0.57 -1.30 0.08 4.77 -1.21 -4.93 117.00 111.28 1qgl n LEU 229 Ca 0.24 -0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 1qgl n LEU 229 Cb 1.36 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 42.39 1qgl n LEU 229 CO 0.32 0.09 -0.13 0.18 -1.33 0.00 0.00 177.39 176.53 1qgl n LEU 230 N -0.57 -0.92 -0.96 2.23 4.77 -0.53 -1.06 117.00 119.95 1qgl n LEU 230 Ca 0.22 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.42 1qgl n LEU 230 Cb 0.21 -2.18 -0.04 0.00 -2.33 0.00 0.00 43.42 39.07 1qgl n LEU 230 CO 0.18 -0.78 -0.12 0.61 -1.33 0.00 0.00 177.39 175.95 1qgl n GLY 231 N -0.19 1.08 0.02 -0.72 0.00 0.62 -4.03 105.19 101.98 1qgl n GLY 231 Ca -0.14 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.38 2.19 -4.45 0.99 4.77 -0.23 -4.49 117.00 114.42 1qgl n LEU 232 Ca -0.12 -0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.54 1qgl n LEU 232 Cb 0.41 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.30 1qgl n LEU 232 CO 0.18 0.43 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.80 1qgl s PHE 233 N -2.07 2.50 0.26 -1.77 0.08 -1.17 -4.76 117.98 111.05 1qgl s PHE 233 Ca -0.04 -0.29 0.09 0.00 0.12 0.00 0.00 56.93 56.81 1qgl s PHE 233 Cb 0.01 -1.40 0.33 0.00 -0.57 0.00 0.00 43.02 41.40 1qgl s PHE 233 CO 0.09 0.29 1.60 -1.00 -0.10 0.00 0.00 175.22 176.10 1qgl h PRO 234 N 4.26 0.08 0.00 0.24 0.13 -1.93 -3.42 132.00 131.36 1qgl h PRO 234 Ca -0.48 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.46 1qgl h PRO 234 Cb 1.16 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1qgl h PRO 234 CO 0.46 0.66 -0.05 -0.40 -0.23 0.00 0.00 178.00 178.43 1qgl n ASP 235 N -3.84 -0.78 -1.97 1.44 5.68 -1.26 -4.88 116.55 110.95 1qgl n ASP 235 Ca -0.02 -1.99 -0.04 0.00 -0.50 0.00 0.00 54.79 52.24 1qgl n ASP 235 Cb 0.61 1.43 0.31 0.00 -1.14 0.00 0.00 41.12 42.33 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 -1.77 4.45 1.32 2.12 0.00 -1.26 -4.71 120.51 120.67 1qgl n ALA 236 Ca -0.07 -2.19 0.11 0.00 0.00 0.00 0.00 53.44 51.28 1qgl n ALA 236 Cb 0.31 -1.24 0.63 0.00 0.00 0.00 0.00 19.45 19.15 1qgl n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59