#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qya s ARG 3 N 0.00 1.64 0.03 0.00 1.81 -1.26 -4.32 118.95 116.85 2qya s ARG 3 Ca 0.00 -0.66 0.05 0.00 -1.72 0.00 0.00 55.73 53.41 2qya s ARG 3 Cb 0.00 -1.52 -0.03 0.00 -0.45 0.00 0.00 34.95 32.94 2qya s ARG 3 CO 0.00 0.35 -0.13 0.14 -0.68 0.00 0.00 175.30 174.98 2qya s VAL 4 N -0.28 3.18 -0.18 3.52 -7.23 -0.10 -1.02 120.40 118.30 2qya s VAL 4 Ca 0.03 -1.02 -0.19 0.00 -1.81 0.00 0.00 61.98 58.99 2qya s VAL 4 Cb -0.09 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 2qya s VAL 4 CO 0.00 0.35 0.54 -0.76 -0.31 0.00 0.00 175.10 174.92 2qya s LEU 5 N -1.48 4.17 -0.24 1.32 1.43 0.65 -1.05 118.68 123.49 2qya s LEU 5 Ca 0.16 0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 2qya s LEU 5 Cb -0.11 -2.75 0.01 0.00 0.03 0.00 0.00 46.19 43.37 2qya s LEU 5 CO 0.07 -0.17 -0.05 -0.22 0.23 0.00 0.00 176.35 176.21 2qya s LEU 6 N 1.51 3.05 -0.29 1.79 2.96 0.44 -1.87 118.68 126.27 2qya s LEU 6 Ca 0.26 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 2qya s LEU 6 Cb -0.16 -1.71 0.07 0.00 0.50 0.00 0.00 46.19 44.89 2qya s LEU 6 CO 0.10 -0.08 -0.05 0.21 -1.32 0.00 0.00 176.35 175.22 2qya s ASN 7 N 1.41 4.61 -0.19 3.68 2.47 -0.29 -0.72 114.94 125.91 2qya s ASN 7 Ca 0.03 -1.59 -0.08 0.00 0.42 0.00 0.00 52.86 51.65 2qya s ASN 7 Cb -0.15 -1.60 -0.04 0.00 -1.45 0.00 0.00 41.25 38.01 2qya s ASN 7 CO -0.04 -0.26 0.07 -0.63 -3.72 0.00 0.00 177.10 172.52 2qya s ILE 8 N 1.07 4.75 -0.09 -5.21 1.01 -1.26 -0.75 121.20 120.72 2qya s ILE 8 Ca -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 2qya s ILE 8 Cb -0.20 -3.15 0.04 0.00 0.01 0.00 0.00 42.46 39.16 2qya s ILE 8 CO -0.05 0.44 0.20 -2.28 0.00 0.00 0.00 174.94 173.25 2qya s HIS 9 N 0.56 -0.26 -0.22 3.97 2.46 -0.12 -5.00 115.29 116.68 2qya s HIS 9 Ca 0.03 0.67 -0.07 0.00 0.47 0.00 0.00 55.06 56.16 2qya s HIS 9 Cb -0.13 -0.02 -0.03 0.00 -0.13 0.00 0.00 32.58 32.27 2qya s HIS 9 CO 0.01 -0.22 0.05 0.20 -2.47 0.00 0.00 174.74 172.31 2qya s GLY 10 N 1.34 1.78 -0.06 1.59 0.00 -1.26 -0.74 107.32 109.97 2qya s GLY 10 Ca -0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.62 2qya s GLY 10 CO -0.07 0.32 0.07 -1.59 0.00 0.00 0.00 173.10 171.83 2qya s THR 11 N 1.12 -0.11 0.00 0.90 2.01 0.32 -5.00 115.64 114.88 2qya s THR 11 Ca 0.04 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.39 2qya s THR 11 Cb -0.14 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.16 2qya s THR 11 CO 0.03 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 2qya n GLY 12 N 5.30 3.78 0.62 4.40 0.00 -1.26 -1.61 105.19 116.42 2qya n GLY 12 Ca -0.04 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2qya n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qya n ASP 13 N 9.21 1.90 -4.26 1.61 8.00 -1.26 -4.96 116.55 126.79 2qya n ASP 13 Ca 0.00 -1.70 -0.32 0.00 0.71 0.00 0.00 54.79 53.49 2qya n ASP 13 Cb 0.00 -0.08 -0.17 0.00 -0.02 0.00 0.00 41.12 40.85 2qya n ASP 13 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qya s THR 14 N -1.84 2.07 -0.18 -3.53 2.01 -0.63 -1.04 115.64 112.50 2qya s THR 14 Ca 0.34 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 2qya s THR 14 Cb 0.19 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 2qya s THR 14 CO 0.29 0.57 -0.10 -0.69 -0.69 0.00 0.00 174.62 174.00 2qya s VAL 15 N -0.09 3.03 -0.19 3.82 1.01 -0.16 -0.52 120.40 127.30 2qya s VAL 15 Ca -0.06 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 2qya s VAL 15 Cb -0.14 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2qya s VAL 15 CO 0.05 0.48 0.05 -0.69 0.00 0.00 0.00 175.10 174.99 2qya s VAL 16 N 1.00 4.57 -0.35 2.92 1.01 0.08 -0.46 120.40 129.18 2qya s VAL 16 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2qya s VAL 16 Cb -0.15 -3.07 0.07 0.00 0.00 0.00 0.00 36.38 33.23 2qya s VAL 16 CO -0.01 0.44 0.10 -0.76 0.00 0.00 0.00 175.10 174.86 2qya s LEU 17 N 0.65 4.49 -0.10 3.92 1.02 0.64 -0.94 118.68 128.37 2qya s LEU 17 Ca 0.03 -1.52 -0.03 0.00 0.02 0.00 0.00 54.13 52.62 2qya s LEU 17 Cb -0.13 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 2qya s LEU 17 CO 0.02 -0.38 0.03 0.00 0.02 0.00 0.00 176.35 176.04 2qya s ALA 18 N 1.25 3.39 -0.03 4.21 0.00 0.07 -1.73 121.76 128.92 2qya s ALA 18 Ca 0.00 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.23 2qya s ALA 18 Cb -0.21 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.31 2qya s ALA 18 CO -0.01 0.56 -0.14 -0.51 0.00 0.00 0.00 175.76 175.65 2qya s LEU 19 N -0.79 1.91 -0.07 0.00 1.43 0.42 -1.14 118.68 120.43 2qya s LEU 19 Ca 0.12 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.88 2qya s LEU 19 Cb -0.12 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.32 2qya s LEU 19 CO 0.02 0.14 0.18 0.00 0.23 0.00 0.00 176.35 176.93 2qya n ASP 21 N 3.34 3.22 -0.31 0.00 9.92 -0.81 -0.25 116.55 131.66 2qya n ASP 21 Ca -0.16 1.16 0.04 0.00 -0.53 0.00 0.00 54.79 55.29 2qya n ASP 21 Cb 0.57 -1.51 0.18 0.00 -0.64 0.00 0.00 41.12 39.72 2qya n ASP 21 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2qya h GLU 22 N 4.10 0.83 0.00 -1.24 4.81 -1.41 -1.84 114.58 119.83 2qya h GLU 22 Ca -0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2qya h GLU 22 Cb 1.26 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2qya h GLU 22 CO 0.74 0.55 0.00 -0.25 -0.73 0.00 0.00 179.01 179.32 2qya n ASP 23 N -4.70 0.00 -0.02 1.04 8.00 -1.26 -2.86 116.55 116.75 2qya n ASP 23 Ca 0.15 -0.62 0.12 0.00 0.71 0.00 0.00 54.79 55.15 2qya n ASP 23 Cb 0.28 -0.10 0.30 0.00 -0.02 0.00 0.00 41.12 41.58 2qya n ASP 23 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qya n LEU 24 N -1.10 0.49 -4.70 0.64 4.77 -0.69 -4.91 117.00 111.50 2qya n LEU 24 Ca 0.19 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 2qya n LEU 24 Cb 0.14 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2qya n LEU 24 CO 0.18 0.12 1.07 -0.22 -1.33 0.00 0.00 177.39 177.21 2qya s LEU 25 N -2.96 4.35 0.00 2.23 2.96 -1.14 -2.29 118.68 121.83 2qya s LEU 25 Ca 0.12 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 2qya s LEU 25 Cb 0.18 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.29 2qya s LEU 25 CO 0.67 -0.67 0.00 0.61 -1.32 0.00 0.00 176.35 175.64 2qya n GLY 26 N 3.54 0.82 3.80 7.98 0.00 0.79 -5.05 105.19 117.08 2qya n GLY 26 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2qya n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qya s VAL 27 N -3.16 4.41 -0.22 1.61 1.01 -0.97 -4.85 120.40 118.23 2qya s VAL 27 Ca 0.00 1.51 -0.13 0.00 0.00 0.00 0.00 61.98 63.36 2qya s VAL 27 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2qya s VAL 27 CO 0.00 0.08 0.25 -1.61 0.00 0.00 0.00 175.10 173.82 2qya s GLU 28 N -2.25 4.12 -0.10 2.72 2.02 -1.26 -1.63 118.70 122.32 2qya s GLU 28 Ca 0.49 -0.08 0.01 0.00 0.02 0.00 0.00 54.97 55.41 2qya s GLU 28 Cb -0.16 -3.53 -0.02 0.00 0.10 0.00 0.00 34.13 30.52 2qya s GLU 28 CO 0.21 0.05 -0.11 -0.51 0.02 0.00 0.00 175.26 174.91 2qya s LEU 29 N 1.08 2.85 -0.14 1.80 1.43 0.41 -4.93 118.68 121.18 2qya s LEU 29 Ca 0.12 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2qya s LEU 29 Cb -0.14 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2qya s LEU 29 CO 0.05 0.25 -0.06 -0.54 0.23 0.00 0.00 176.35 176.28 2qya s LYS 30 N -0.18 3.49 -0.19 1.70 1.02 -1.26 0.12 119.74 124.44 2qya s LYS 30 Ca 0.01 -0.56 -0.07 0.00 0.02 0.00 0.00 55.97 55.36 2qya s LYS 30 Cb -0.13 -2.81 0.08 0.00 -0.52 0.00 0.00 37.83 34.46 2qya s LYS 30 CO 0.03 0.29 0.42 1.52 -0.92 0.00 0.00 175.35 176.70 2qya s TYR 31 N 0.20 -0.76 -1.35 3.18 1.13 -0.96 -4.60 117.35 114.19 2qya s TYR 31 Ca -0.04 1.48 -0.02 0.00 -1.41 0.00 0.00 57.07 57.08 2qya s TYR 31 Cb -0.14 0.30 0.01 0.00 -1.10 0.00 0.00 41.96 41.03 2qya s TYR 31 CO 0.03 -0.45 0.74 1.63 -2.51 0.00 0.00 175.55 174.99 2qya n LYS 32 N 5.15 -5.01 0.00 -3.49 5.02 -1.26 -1.76 118.16 116.81 2qya n LYS 32 Ca -0.12 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 2qya n LYS 32 Cb 0.51 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 2qya n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qya n GLY 33 N -1.61 2.31 3.83 0.72 0.00 -1.26 -5.03 105.19 104.15 2qya n GLY 33 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2qya n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qya s ARG 34 N -0.38 4.18 -0.15 1.61 0.52 -0.72 -5.09 118.95 118.92 2qya s ARG 34 Ca 0.00 0.97 0.01 0.00 -0.52 0.00 0.00 55.73 56.19 2qya s ARG 34 Cb 0.00 -2.34 0.01 0.00 0.52 0.00 0.00 34.95 33.14 2qya s ARG 34 CO 0.00 0.07 -0.19 0.99 0.02 0.00 0.00 175.30 176.20 2qya s THR 35 N -2.04 2.30 -0.19 0.02 2.01 -1.26 -2.27 115.64 114.20 2qya s THR 35 Ca 0.58 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.62 2qya s THR 35 Cb -0.10 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 2qya s THR 35 CO 0.16 0.53 0.04 -0.22 -0.69 0.00 0.00 174.62 174.44 2qya s LEU 36 N 0.90 3.57 -0.39 4.42 2.96 0.33 -4.94 118.68 125.53 2qya s LEU 36 Ca -0.04 -0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 2qya s LEU 36 Cb -0.15 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.66 2qya s LEU 36 CO -0.03 0.12 0.24 -1.00 -1.32 0.00 0.00 176.35 174.36 2qya s HIS 37 N 0.70 3.25 -1.40 5.38 3.76 -1.26 -0.44 115.29 125.26 2qya s HIS 37 Ca 0.02 -0.88 -0.15 0.00 -0.15 0.00 0.00 55.06 53.90 2qya s HIS 37 Cb -0.14 -2.53 0.03 0.00 1.11 0.00 0.00 32.58 31.05 2qya s HIS 37 CO 0.02 -0.65 2.17 -0.89 -0.85 0.00 0.00 174.74 174.54 2qya n ILE 38 N 5.05 3.39 -3.11 0.60 2.08 -0.65 -4.92 119.36 121.81 2qya n ILE 38 Ca -0.11 -3.03 -0.39 0.00 0.56 0.00 0.00 62.75 59.78 2qya n ILE 38 Cb 0.46 -2.57 -0.06 0.00 -0.75 0.00 0.00 39.64 36.72 2qya n ILE 38 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2qya s SER 39 N 3.42 7.22 0.25 4.38 1.04 -1.26 -0.15 113.70 128.60 2qya s SER 39 Ca 0.48 1.47 -0.08 0.00 0.48 0.00 0.00 55.95 58.30 2qya s SER 39 Cb 0.13 -2.44 0.42 0.00 0.10 0.00 0.00 66.02 64.23 2qya s SER 39 CO -0.06 0.21 1.62 -0.08 0.98 0.00 0.00 173.24 175.91 2qya h GLU 40 N 4.26 0.06 -0.99 4.02 4.81 -1.95 0.19 114.58 124.98 2qya h GLU 40 Ca -0.48 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 2qya h GLU 40 Cb 1.21 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 2qya h GLU 40 CO 0.65 0.04 0.65 -1.00 -0.73 0.00 0.00 179.01 178.61 2qya h PRO 41 N 0.06 1.19 0.15 0.92 0.13 -1.97 -2.26 132.00 130.21 2qya h PRO 41 Ca 0.41 -0.07 -0.31 0.00 -0.87 0.00 0.00 66.00 65.15 2qya h PRO 41 Cb 0.70 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2qya h PRO 41 CO -0.73 0.79 -1.54 0.74 -0.23 0.00 0.00 178.00 177.03 2qya h PHE 42 N 1.23 0.56 0.00 1.56 0.04 -1.84 -3.42 116.94 115.07 2qya h PHE 42 Ca 0.41 -0.41 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2qya h PHE 42 Cb 0.05 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 2qya h PHE 42 CO -0.00 1.45 -1.91 0.66 -0.60 0.00 0.00 178.31 177.91 2qya n TYR 43 N -3.51 0.00 -0.94 -0.55 4.01 0.63 -4.97 117.16 111.83 2qya n TYR 43 Ca -0.17 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.26 2qya n TYR 43 Cb 1.05 -0.48 0.02 0.00 -0.31 0.00 0.00 39.34 39.62 2qya n TYR 43 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qya n SER 44 N -2.22 -3.75 0.00 7.72 3.41 -0.86 -4.76 113.62 113.16 2qya n SER 44 Ca -0.06 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2qya n SER 44 Cb 0.56 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2qya n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qya n GLY 45 N 2.36 -1.61 3.68 5.00 0.00 -1.26 -4.38 105.19 108.98 2qya n GLY 45 Ca 0.03 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 2qya n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qya s LYS 46 N -1.50 4.26 -0.29 1.61 2.20 0.11 -4.58 119.74 121.55 2qya s LYS 46 Ca 0.00 1.96 -0.29 0.00 -0.36 0.00 0.00 55.97 57.28 2qya s LYS 46 Cb 0.00 -3.65 0.01 0.00 -1.51 0.00 0.00 37.83 32.68 2qya s LYS 46 CO 0.00 -0.63 1.13 0.45 -0.36 0.00 0.00 175.35 175.94 2qya s SER 47 N 2.10 6.91 0.16 1.43 0.15 -1.26 -0.42 113.70 122.76 2qya s SER 47 Ca 0.64 1.16 -0.01 0.00 0.70 0.00 0.00 55.95 58.44 2qya s SER 47 Cb -0.30 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.42 2qya s SER 47 CO 0.25 -0.88 0.07 0.00 1.20 0.00 0.00 173.24 173.88 2qya s MET 48 N 3.68 1.03 0.33 5.44 0.23 -0.21 -4.98 119.30 124.83 2qya s MET 48 Ca 0.48 -1.51 -0.26 0.00 -1.03 0.00 0.00 55.69 53.37 2qya s MET 48 Cb -0.14 0.20 -0.09 0.00 -1.53 0.00 0.00 34.83 33.27 2qya s MET 48 CO 0.16 -0.29 1.02 -1.21 -2.03 0.00 0.00 175.02 172.67 2qya s GLU 49 N -4.07 4.46 0.30 3.16 2.02 -1.26 -0.92 118.70 122.39 2qya s GLU 49 Ca 0.29 1.53 0.05 0.00 0.02 0.00 0.00 54.97 56.86 2qya s GLU 49 Cb 0.07 -2.83 0.82 0.00 0.10 0.00 0.00 34.13 32.28 2qya s GLU 49 CO 0.05 0.12 1.64 -1.00 0.02 0.00 0.00 175.26 176.10 2qya h PRO 50 N 3.15 0.21 -0.63 0.39 0.13 -1.93 -1.52 132.00 131.80 2qya h PRO 50 Ca -0.47 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2qya h PRO 50 Cb 1.21 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2qya h PRO 50 CO 0.65 0.14 0.05 -0.44 -0.23 0.00 0.00 178.00 178.17 2qya h ASP 51 N 0.22 1.03 -0.48 1.44 3.32 -1.97 -0.22 116.42 119.76 2qya h ASP 51 Ca 0.60 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 2qya h ASP 51 Cb 1.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 2qya h ASP 51 CO -0.66 1.05 0.17 -0.09 -1.72 0.00 0.00 179.24 177.99 2qya h ARG 52 N 0.98 0.72 -0.14 3.56 2.43 -1.70 -2.20 114.38 118.04 2qya h ARG 52 Ca 0.18 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2qya h ARG 52 Cb 0.50 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2qya h ARG 52 CO 0.02 0.67 0.07 0.00 -1.51 0.00 0.00 179.97 179.23 2qya h ALA 53 N 1.02 0.17 -0.92 2.80 0.00 -1.11 -0.18 119.26 121.04 2qya h ALA 53 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2qya h ALA 53 Cb 0.23 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2qya h ALA 53 CO -0.01 -0.36 0.59 0.00 0.00 0.00 0.00 179.25 179.47 2qya h ALA 54 N 1.07 1.69 0.02 0.00 0.00 -0.98 0.16 119.26 121.22 2qya h ALA 54 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qya h ALA 54 Cb 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2qya h ALA 54 CO -0.04 0.09 -0.01 -0.22 0.00 0.00 0.00 179.25 179.07 2qya h LYS 55 N 0.83 -0.03 -0.84 0.00 3.64 -0.70 -2.04 116.57 117.44 2qya h LYS 55 Ca 0.45 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.81 2qya h LYS 55 Cb 0.56 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 2qya h LYS 55 CO -0.21 0.25 0.42 0.87 -2.27 0.00 0.00 179.45 178.51 2qya h LYS 56 N -0.31 1.19 -0.12 1.90 1.79 -0.54 -2.22 116.57 118.26 2qya h LYS 56 Ca -0.00 -0.17 0.03 0.00 -2.18 0.00 0.00 60.65 58.33 2qya h LYS 56 Cb 0.30 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 2qya h LYS 56 CO 0.00 0.91 -0.04 0.82 -1.08 0.00 0.00 179.45 180.06 2qya h ILE 57 N 1.18 0.85 -0.92 1.86 5.03 -0.97 -1.38 117.51 123.16 2qya h ILE 57 Ca 0.29 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 65.05 2qya h ILE 57 Cb 0.10 0.85 -0.05 0.00 -3.03 0.00 0.00 36.82 34.68 2qya h ILE 57 CO -0.04 0.00 0.61 0.03 -0.68 0.00 0.00 178.15 178.07 2qya h ARG 58 N -0.02 1.17 -0.48 2.37 3.08 -1.23 -1.77 114.38 117.49 2qya h ARG 58 Ca 0.06 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2qya h ARG 58 Cb 0.12 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 2qya h ARG 58 CO -0.13 0.77 0.17 0.93 -1.07 0.00 0.00 179.97 180.63 2qya h GLU 59 N 1.20 0.74 -0.38 0.04 5.08 -1.01 -2.01 114.58 118.23 2qya h GLU 59 Ca 0.35 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.40 2qya h GLU 59 Cb -0.07 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2qya h GLU 59 CO -0.09 0.68 -0.39 0.00 -1.00 0.00 0.00 179.01 178.21 2qya h ALA 60 N 1.02 0.56 -0.77 3.43 0.00 -0.97 0.21 119.26 122.74 2qya h ALA 60 Ca 0.16 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2qya h ALA 60 Cb 0.24 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2qya h ALA 60 CO -0.01 0.67 0.47 0.28 0.00 0.00 0.00 179.25 180.67 2qya h VAL 61 N 0.76 1.07 -0.17 0.00 2.07 -1.28 -2.55 116.25 116.14 2qya h VAL 61 Ca 0.06 -0.31 -0.20 0.00 0.82 0.00 0.00 66.70 67.07 2qya h VAL 61 Cb 0.99 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2qya h VAL 61 CO 0.10 0.16 -0.70 -0.61 0.02 0.00 0.00 177.57 176.54 2qya h GLN 62 N 0.90 0.73 -0.68 1.57 -0.00 -1.04 -2.13 115.11 114.47 2qya h GLN 62 Ca 0.32 -0.55 0.06 0.00 -0.00 0.00 0.00 58.65 58.48 2qya h GLN 62 Cb 0.09 0.10 -0.04 0.00 0.00 0.00 0.00 27.48 27.63 2qya h GLN 62 CO -0.14 1.17 0.45 1.49 0.00 0.00 0.00 178.83 181.80 2qya h GLU 63 N 0.52 0.69 -0.15 1.69 4.81 -0.40 -3.21 114.58 118.53 2qya h GLU 63 Ca -0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2qya h GLU 63 Cb 1.31 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2qya h GLU 63 CO 0.14 0.45 0.00 0.66 -0.73 0.00 0.00 179.01 179.54 2qya n TYR 64 N -4.48 0.18 -0.31 0.92 4.01 -0.98 -4.71 117.16 111.80 2qya n TYR 64 Ca 0.10 -0.16 0.29 0.00 -0.16 0.00 0.00 57.90 57.97 2qya n TYR 64 Cb 0.22 -0.01 0.64 0.00 -0.31 0.00 0.00 39.34 39.88 2qya n TYR 64 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2qya h GLU 65 N 2.54 0.17 -0.48 -0.72 4.11 -1.39 -0.01 114.58 118.81 2qya h GLU 65 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2qya h GLU 65 Cb 0.63 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2qya h GLU 65 CO 0.00 0.11 0.00 -0.25 0.07 0.00 0.00 179.01 178.94 2qya n ASP 66 N -4.39 3.35 0.00 3.06 8.00 -1.26 -0.94 116.55 124.37 2qya n ASP 66 Ca 0.25 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.79 2qya n ASP 66 Cb 1.07 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 2qya n ASP 66 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qya n GLU 67 N 1.15 0.12 -4.16 -1.24 1.02 -0.12 -4.83 120.64 112.58 2qya n GLU 67 Ca 0.18 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.22 2qya n GLU 67 Cb 0.53 -0.62 -0.10 0.00 -0.02 0.00 0.00 31.44 31.23 2qya n GLU 67 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2qya s LYS 68 N -1.23 0.80 -0.19 3.49 -0.14 -0.59 -4.97 119.74 116.91 2qya s LYS 68 Ca 0.00 -1.32 -0.26 0.00 -1.36 0.00 0.00 55.97 53.03 2qya s LYS 68 Cb 0.00 -0.12 -0.01 0.00 -1.68 0.00 0.00 37.83 36.02 2qya s LYS 68 CO 0.00 -0.04 0.88 0.99 -0.76 0.00 0.00 175.35 176.42 2qya s THR 69 N -3.69 4.83 -0.28 2.17 2.01 -0.20 -3.86 115.64 116.61 2qya s THR 69 Ca 0.11 1.72 -0.15 0.00 0.31 0.00 0.00 61.69 63.69 2qya s THR 69 Cb 0.06 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2qya s THR 69 CO -0.06 -0.04 0.36 -0.69 -0.69 0.00 0.00 174.62 173.51 2qya s VAL 70 N 2.49 5.18 -0.20 3.82 1.01 0.27 -0.99 120.40 131.98 2qya s VAL 70 Ca 0.39 0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.76 2qya s VAL 70 Cb -0.16 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2qya s VAL 70 CO 0.10 0.12 0.07 0.00 0.00 0.00 0.00 175.10 175.39 2qya s ALA 71 N 2.05 3.36 -0.12 5.51 0.00 0.40 0.43 121.76 133.39 2qya s ALA 71 Ca 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2qya s ALA 71 Cb -0.16 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 2qya s ALA 71 CO 0.10 0.03 -0.14 0.42 0.00 0.00 0.00 175.76 176.18 2qya s ILE 72 N 0.64 3.02 -0.14 0.00 1.01 -0.12 -0.26 121.20 125.35 2qya s ILE 72 Ca 0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 2qya s ILE 72 Cb -0.13 -2.25 0.04 0.00 0.01 0.00 0.00 42.46 40.12 2qya s ILE 72 CO 0.02 0.53 -0.05 0.20 0.00 0.00 0.00 174.94 175.64 2qya s ASN 73 N 0.23 2.49 -0.08 3.58 0.02 -0.70 -1.21 114.94 119.27 2qya s ASN 73 Ca -0.09 -0.49 0.04 0.00 -1.02 0.00 0.00 52.86 51.30 2qya s ASN 73 Cb -0.15 -0.83 0.00 0.00 0.02 0.00 0.00 41.25 40.29 2qya s ASN 73 CO 0.05 -0.17 -0.20 0.00 0.02 0.00 0.00 177.10 176.80 2qya s ALA 74 N 1.70 1.85 -0.13 0.60 0.00 -0.15 -0.44 121.76 125.20 2qya s ALA 74 Ca 0.03 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 2qya s ALA 74 Cb -0.14 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.32 2qya s ALA 74 CO -0.08 0.26 -0.07 -1.17 0.00 0.00 0.00 175.76 174.70 2qya s LEU 75 N 0.32 1.30 0.00 0.00 2.96 -0.15 -1.38 118.68 121.73 2qya s LEU 75 Ca -0.14 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 2qya s LEU 75 Cb -0.16 -0.86 0.00 0.00 0.50 0.00 0.00 46.19 45.67 2qya s LEU 75 CO 0.06 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.56 2qya n GLY 76 N 4.93 3.40 0.21 7.98 0.00 0.63 -1.92 105.19 120.41 2qya n GLY 76 Ca -0.12 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 43.98 2qya n GLY 76 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qya h GLU 77 N 0.00 0.65 -0.23 1.61 4.81 -1.95 -0.53 114.58 118.94 2qya h GLU 77 Ca 0.00 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 2qya h GLU 77 Cb 0.00 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 2qya h GLU 77 CO 0.00 0.47 -0.34 1.25 -0.73 0.00 0.00 179.01 179.66 2qya h LEU 78 N 0.64 0.70 -0.92 1.64 5.85 -1.97 -1.99 115.31 119.26 2qya h LEU 78 Ca 0.17 -0.52 0.08 0.00 0.84 0.00 0.00 57.88 58.46 2qya h LEU 78 Cb -0.01 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 2qya h LEU 78 CO -0.03 1.08 0.57 0.00 -0.34 0.00 0.00 178.44 179.72 2qya h ALA 79 N 0.64 1.30 -0.15 1.25 0.00 -1.78 -1.80 119.26 118.73 2qya h ALA 79 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2qya h ALA 79 Cb 0.93 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2qya h ALA 79 CO 0.08 0.28 -0.58 0.00 0.00 0.00 0.00 179.25 179.04 2qya h SER 81 N 0.35 0.65 -0.25 0.00 0.02 -0.98 -1.78 113.55 111.55 2qya h SER 81 Ca 0.00 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2qya h SER 81 Cb 1.11 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 2qya h SER 81 CO 0.10 0.52 0.14 0.58 -1.14 0.00 0.00 176.83 177.04 2qya h VAL 82 N 0.74 1.11 -0.61 2.27 2.07 -1.07 0.65 116.25 121.41 2qya h VAL 82 Ca 0.19 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2qya h VAL 82 Cb 0.02 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2qya h VAL 82 CO -0.03 0.11 0.34 0.58 0.02 0.00 0.00 177.57 178.58 2qya h VAL 83 N 0.30 1.00 0.09 2.57 2.07 -1.14 0.17 116.25 121.31 2qya h VAL 83 Ca 0.09 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2qya h VAL 83 Cb 0.04 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2qya h VAL 83 CO -0.02 0.12 -0.04 0.58 0.02 0.00 0.00 177.57 178.23 2qya h VAL 84 N 0.65 0.98 -0.21 2.57 2.07 -1.17 -1.63 116.25 119.51 2qya h VAL 84 Ca 0.26 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.61 2qya h VAL 84 Cb 0.12 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2qya h VAL 84 CO -0.15 0.06 0.16 0.44 0.02 0.00 0.00 177.57 178.10 2qya h ASP 85 N -0.22 0.00 -0.09 0.57 3.32 0.60 0.11 116.42 120.71 2qya h ASP 85 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2qya h ASP 85 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2qya h ASP 85 CO 0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 2qya n ALA 86 N -2.57 2.54 -1.26 3.45 0.00 0.57 -4.91 120.51 118.34 2qya n ALA 86 Ca 0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.11 2qya n ALA 86 Cb 0.30 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 2qya n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qya n GLY 87 N 0.86 1.02 0.11 0.00 0.00 0.38 -4.88 105.19 102.68 2qya n GLY 87 Ca 0.11 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.82 2qya n GLY 87 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qya h LEU 88 N 0.00 0.00 -7.65 0.99 3.38 -1.46 -3.47 115.31 107.10 2qya h LEU 88 Ca -0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2qya h LEU 88 Cb 0.72 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.33 2qya h LEU 88 CO 0.27 0.35 -0.25 0.00 0.09 0.00 0.00 178.44 178.89 2qya s ALA 89 N -3.09 -0.49 0.27 1.53 0.00 -1.24 -5.01 121.76 113.73 2qya s ALA 89 Ca -0.01 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.39 2qya s ALA 89 Cb 0.09 0.57 -0.08 0.00 0.00 0.00 0.00 23.12 23.69 2qya s ALA 89 CO 0.79 -0.56 0.69 1.03 0.00 0.00 0.00 175.76 177.71 2qya s ARG 90 N -3.84 4.04 0.39 0.00 0.52 -1.26 -4.26 118.95 114.54 2qya s ARG 90 Ca 0.04 0.65 0.19 0.00 -0.52 0.00 0.00 55.73 56.10 2qya s ARG 90 Cb 0.04 -2.61 1.12 0.00 0.52 0.00 0.00 34.95 34.02 2qya s ARG 90 CO -0.11 0.26 1.74 1.49 0.02 0.00 0.00 175.30 178.70 2qya h GLU 91 N 2.68 0.36 0.00 3.54 4.57 -1.96 -0.17 114.58 123.59 2qya h GLU 91 Ca -0.48 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2qya h GLU 91 Cb 1.18 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2qya h GLU 91 CO 0.66 0.24 0.00 -0.40 -1.18 0.00 0.00 179.01 178.32 2qya n ASP 92 N -4.68 0.00 -0.24 1.04 5.68 -1.26 -2.87 116.55 114.22 2qya n ASP 92 Ca 0.27 0.29 0.12 0.00 -0.50 0.00 0.00 54.79 54.97 2qya n ASP 92 Cb 0.94 -0.42 0.15 0.00 -1.14 0.00 0.00 41.12 40.66 2qya n ASP 92 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qya n GLU 93 N -1.42 0.66 -2.41 0.11 1.02 -0.08 -4.92 120.64 113.61 2qya n GLU 93 Ca 0.07 -0.48 -0.41 0.00 -0.02 0.00 0.00 57.16 56.32 2qya n GLU 93 Cb 0.22 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 2qya n GLU 93 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2qya s ILE 94 N -2.67 3.76 0.00 -3.67 -1.09 -1.14 -4.99 121.20 111.41 2qya s ILE 94 Ca 0.17 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 60.01 2qya s ILE 94 Cb 0.18 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 2qya s ILE 94 CO 0.63 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 175.14 2qya n GLY 95 N 2.49 1.96 3.26 6.18 0.00 0.29 -4.93 105.19 114.44 2qya n GLY 95 Ca 0.05 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 2qya n GLY 95 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qya s GLU 96 N 3.85 0.59 -0.24 1.61 2.56 -1.25 -1.93 118.70 123.90 2qya s GLU 96 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.97 55.03 2qya s GLU 96 Cb 0.00 0.27 0.08 0.00 2.00 0.00 0.00 34.13 36.48 2qya s GLU 96 CO 0.00 -0.14 0.08 -1.17 -0.56 0.00 0.00 175.26 173.47 2qya s LEU 97 N -0.74 1.10 -1.35 2.70 2.96 0.14 -4.73 118.68 118.76 2qya s LEU 97 Ca -0.08 -1.07 -0.05 0.00 -0.22 0.00 0.00 54.13 52.71 2qya s LEU 97 Cb -0.04 -0.53 0.02 0.00 0.50 0.00 0.00 46.19 46.14 2qya s LEU 97 CO 0.03 -0.37 0.95 0.61 -1.32 0.00 0.00 176.35 176.25 2qya n GLY 98 N 5.10 -0.41 2.23 7.98 0.00 -1.26 -2.16 105.19 116.65 2qya n GLY 98 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2qya n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qya n GLY 99 N -1.60 0.71 3.27 -0.02 0.00 -1.26 -4.76 105.19 101.53 2qya n GLY 99 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 2qya n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qya s VAL 100 N -2.77 2.14 0.36 1.61 1.01 -0.92 -5.10 120.40 116.74 2qya s VAL 100 Ca 0.00 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 2qya s VAL 100 Cb 0.00 -1.79 -0.12 0.00 0.00 0.00 0.00 36.38 34.47 2qya s VAL 100 CO 0.00 0.57 1.42 -2.65 0.00 0.00 0.00 175.10 174.43 2qya n PRO 101 N 3.10 2.46 -3.87 2.72 -0.02 -1.26 0.24 135.00 138.37 2qya n PRO 101 Ca -0.18 0.86 -0.11 0.00 -2.02 0.00 0.00 63.50 62.05 2qya n PRO 101 Cb 0.52 -2.54 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 2qya n PRO 101 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2qya s HIS 102 N -1.05 -0.00 -0.05 6.00 2.46 -0.81 -0.27 115.29 121.56 2qya s HIS 102 Ca 0.55 0.01 -0.03 0.00 0.47 0.00 0.00 55.06 56.06 2qya s HIS 102 Cb -0.51 -0.02 0.02 0.00 -0.13 0.00 0.00 32.58 31.94 2qya s HIS 102 CO 0.63 -0.11 0.11 0.54 -2.47 0.00 0.00 174.74 173.43 2qya s VAL 103 N -0.48 -0.03 -0.06 0.89 0.11 -0.48 -0.54 120.40 119.81 2qya s VAL 103 Ca -0.05 0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.14 2qya s VAL 103 Cb -0.03 -0.17 -0.00 0.00 -1.53 0.00 0.00 36.38 34.64 2qya s VAL 103 CO 0.00 0.04 -0.21 -1.10 -3.33 0.00 0.00 175.10 170.51 2qya s GLN 104 N 0.64 2.28 0.02 1.54 -0.21 -1.26 -0.98 119.66 121.69 2qya s GLN 104 Ca -0.05 -0.74 0.02 0.00 0.02 0.00 0.00 55.36 54.61 2qya s GLN 104 Cb -0.07 -1.88 -0.01 0.00 1.00 0.00 0.00 33.01 32.04 2qya s GLN 104 CO -0.03 0.25 -0.07 -1.64 -2.12 0.00 0.00 175.29 171.68 2qya s MET 105 N 0.11 0.49 -0.21 2.91 -1.94 -0.35 -4.99 119.30 115.31 2qya s MET 105 Ca -0.08 -0.46 -0.00 0.00 -1.71 0.00 0.00 55.69 53.44 2qya s MET 105 Cb -0.14 -0.37 0.02 0.00 2.01 0.00 0.00 34.83 36.35 2qya s MET 105 CO 0.04 0.09 -0.13 0.71 -0.01 0.00 0.00 175.02 175.72 2qya s TYR 106 N -0.70 2.91 -0.41 -0.03 2.02 -1.26 -0.95 117.35 118.93 2qya s TYR 106 Ca -0.03 -1.55 -0.06 0.00 -0.37 0.00 0.00 57.07 55.06 2qya s TYR 106 Cb -0.06 -1.99 0.09 0.00 -0.40 0.00 0.00 41.96 39.61 2qya s TYR 106 CO 0.00 -0.75 0.22 0.42 -1.57 0.00 0.00 175.55 173.87 2qya s ILE 107 N 1.32 3.67 0.51 2.71 1.01 0.17 -4.98 121.20 125.61 2qya s ILE 107 Ca 0.03 -1.73 -0.11 0.00 0.00 0.00 0.00 60.65 58.84 2qya s ILE 107 Cb -0.15 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 2qya s ILE 107 CO -0.09 -0.57 0.90 -0.76 0.00 0.00 0.00 174.94 174.42 2qya s LEU 108 N 1.27 3.56 0.73 2.97 1.02 -1.26 -0.57 118.68 126.41 2qya s LEU 108 Ca 0.05 1.28 -0.15 0.00 0.02 0.00 0.00 54.13 55.33 2qya s LEU 108 Cb -0.23 -4.24 0.04 0.00 0.02 0.00 0.00 46.19 41.78 2qya s LEU 108 CO -0.01 -0.62 1.21 -2.84 0.02 0.00 0.00 176.35 174.10 2qya s PRO 109 N -4.48 2.11 0.27 1.29 0.02 -1.25 -4.90 135.00 128.06 2qya s PRO 109 Ca 0.53 1.77 -0.29 0.00 0.02 0.00 0.00 61.00 63.03 2qya s PRO 109 Cb -0.10 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.49 2qya s PRO 109 CO 0.41 -1.86 1.28 1.03 -0.33 0.00 0.00 177.00 177.52 2qya s ARG 110 N -3.91 4.41 0.39 5.54 0.52 -0.11 -5.00 118.95 120.80 2qya s ARG 110 Ca 0.75 2.09 -0.24 0.00 -0.52 0.00 0.00 55.73 57.80 2qya s ARG 110 Cb -0.29 -3.14 -0.12 0.00 0.52 0.00 0.00 34.95 31.92 2qya s ARG 110 CO 0.46 -0.15 0.86 0.39 0.02 0.00 0.00 175.30 176.88 2qya n GLU 111 N 1.58 1.07 -2.21 3.54 -0.58 -1.26 -4.84 120.64 117.94 2qya n GLU 111 Ca 0.02 0.38 -0.37 0.00 -0.42 0.00 0.00 57.16 56.78 2qya n GLU 111 Cb 0.43 -1.82 -0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2qya n GLU 111 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2qya s PRO 112 N -1.79 3.58 0.13 3.49 0.02 -1.26 -5.05 135.00 134.11 2qya s PRO 112 Ca 0.63 1.77 -0.14 0.00 0.02 0.00 0.00 61.00 63.28 2qya s PRO 112 Cb -0.60 -2.28 0.02 0.00 0.02 0.00 0.00 34.50 31.66 2qya s PRO 112 CO 0.57 -0.70 0.36 -0.59 -0.33 0.00 0.00 177.00 176.31 2qya s PHE 113 N -1.58 -0.05 0.11 6.54 -0.71 -1.26 -5.17 117.98 115.86 2qya s PHE 113 Ca 0.67 -0.31 0.06 0.00 -1.04 0.00 0.00 56.93 56.31 2qya s PHE 113 Cb -0.28 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 2qya s PHE 113 CO 0.34 -0.70 -0.03 -0.51 -1.34 0.00 0.00 175.22 172.98 2qya s LEU 114 N -2.84 3.31 -0.12 -1.99 1.43 -1.26 -5.12 118.68 112.09 2qya s LEU 114 Ca 0.06 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 2qya s LEU 114 Cb 0.02 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2qya s LEU 114 CO -0.09 0.16 -0.19 -1.61 0.23 0.00 0.00 176.35 174.84 2qya s GLU 115 N -2.41 3.20 0.00 1.70 2.02 -1.26 -5.34 118.70 116.61 2qya s GLU 115 Ca 0.25 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.44 2qya s GLU 115 Cb -0.11 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.67 2qya s GLU 115 CO 0.17 0.18 0.39 0.41 0.02 0.00 0.00 175.26 176.44