#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 1.79 0.10 0.00 1.81 -1.26 -4.35 118.95 117.03 2qya s ARG 3 Ca 0.00 -0.72 0.07 0.00 -1.72 0.00 0.00 55.73 53.36 2qya s ARG 3 Cb 0.00 -1.65 -0.04 0.00 -0.45 0.00 0.00 34.95 32.81 2qya s ARG 3 CO 0.00 0.39 -0.12 0.54 -0.68 0.00 0.00 175.30 175.43 2qya s VAL 4 N -0.32 3.23 -0.27 3.52 0.11 -0.25 -1.36 120.40 125.05 2qya s VAL 4 Ca 0.04 -1.28 -0.16 0.00 -2.93 0.00 0.00 61.98 57.64 2qya s VAL 4 Cb -0.09 -2.49 -0.03 0.00 -1.53 0.00 0.00 36.38 32.24 2qya s VAL 4 CO 0.00 0.14 0.43 -0.76 -3.33 0.00 0.00 175.10 171.59 2qya s LEU 5 N -2.09 4.07 -0.21 2.54 1.43 0.11 -0.54 118.68 124.00 2qya s LEU 5 Ca 0.20 0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 2qya s LEU 5 Cb -0.11 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2qya s LEU 5 CO 0.12 -0.24 0.06 -0.22 0.23 0.00 0.00 176.35 176.30 2qya s LEU 6 N 2.17 3.63 -0.17 1.79 2.96 0.00 -2.04 118.68 127.03 2qya s LEU 6 Ca 0.17 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2qya s LEU 6 Cb -0.16 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.62 2qya s LEU 6 CO 0.10 0.09 -0.16 0.21 -1.32 0.00 0.00 176.35 175.27 2qya s ASN 7 N 0.86 2.99 -0.17 3.68 3.84 1.00 -1.29 114.94 125.85 2qya s ASN 7 Ca 0.03 -0.62 0.01 0.00 0.21 0.00 0.00 52.86 52.49 2qya s ASN 7 Cb -0.14 -1.32 0.01 0.00 -0.55 0.00 0.00 41.25 39.26 2qya s ASN 7 CO 0.02 -0.05 -0.19 -0.63 -2.79 0.00 0.00 177.10 173.47 2qya s ILE 8 N 1.39 2.19 -0.03 -5.21 1.01 -1.26 0.17 121.20 119.46 2qya s ILE 8 Ca 0.04 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.78 2qya s ILE 8 Cb -0.13 -1.91 0.03 0.00 0.01 0.00 0.00 42.46 40.45 2qya s ILE 8 CO -0.11 0.53 0.03 -2.28 0.00 0.00 0.00 174.94 173.11 2qya s HIS 9 N 1.18 0.12 -0.21 3.97 2.46 -0.70 -5.00 115.29 117.10 2qya s HIS 9 Ca 0.02 0.11 -0.13 0.00 0.47 0.00 0.00 55.06 55.53 2qya s HIS 9 Cb -0.14 -0.33 -0.05 0.00 -0.13 0.00 0.00 32.58 31.94 2qya s HIS 9 CO -0.09 -0.12 0.25 0.20 -2.47 0.00 0.00 174.74 172.51 2qya s GLY 10 N 1.24 2.06 -0.20 1.59 0.00 -1.26 -1.41 107.32 109.33 2qya s GLY 10 Ca -0.07 -0.68 -0.03 0.00 0.00 0.00 0.00 44.72 43.94 2qya s GLY 10 CO -0.03 0.51 0.05 -1.59 0.00 0.00 0.00 173.10 172.04 2qya s THR 11 N 0.97 0.47 0.00 0.90 2.01 0.30 -5.01 115.64 115.29 2qya s THR 11 Ca 0.13 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2qya s THR 11 Cb -0.14 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.34 2qya s THR 11 CO 0.05 -0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 2qya n GLY 12 N 5.07 3.01 0.08 4.40 0.00 -1.26 -2.04 105.19 114.44 2qya n GLY 12 Ca -0.08 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 9.99 0.55 -4.18 1.61 8.00 -1.26 -4.94 116.55 126.32 2qya n ASP 13 Ca 0.00 0.57 -0.27 0.00 0.71 0.00 0.00 54.79 55.80 2qya n ASP 13 Cb 0.00 -0.71 -0.16 0.00 -0.02 0.00 0.00 41.12 40.23 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 -3.12 1.60 -0.13 -3.53 2.01 -0.87 -0.79 115.64 110.82 2qya s THR 14 Ca 0.10 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.28 2qya s THR 14 Cb 0.13 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 2qya s THR 14 CO 0.51 0.45 -0.17 -0.69 -0.69 0.00 0.00 174.62 174.04 2qya s VAL 15 N -0.17 2.67 -0.19 3.82 1.01 0.56 -0.54 120.40 127.57 2qya s VAL 15 Ca 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 2qya s VAL 15 Cb -0.11 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2qya s VAL 15 CO 0.01 0.53 -0.00 -0.69 0.00 0.00 0.00 175.10 174.95 2qya s VAL 16 N 0.47 4.02 -0.35 2.92 1.01 -0.50 -0.48 120.40 127.48 2qya s VAL 16 Ca -0.12 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 2qya s VAL 16 Cb -0.16 -2.80 0.06 0.00 0.00 0.00 0.00 36.38 33.47 2qya s VAL 16 CO 0.05 0.45 0.12 -0.76 0.00 0.00 0.00 175.10 174.96 2qya s LEU 17 N 0.78 4.53 -0.11 3.92 1.43 0.55 -1.73 118.68 128.04 2qya s LEU 17 Ca 0.00 -1.42 0.01 0.00 -1.03 0.00 0.00 54.13 51.69 2qya s LEU 17 Cb -0.14 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2qya s LEU 17 CO 0.02 -0.39 -0.15 0.00 0.23 0.00 0.00 176.35 176.07 2qya s ALA 18 N 1.31 2.56 -0.03 4.21 0.00 0.13 -1.32 121.76 128.61 2qya s ALA 18 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2qya s ALA 18 Cb -0.21 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 2qya s ALA 18 CO 0.00 0.30 -0.15 -0.51 0.00 0.00 0.00 175.76 175.40 2qya s LEU 19 N 0.20 1.91 -0.03 0.00 1.43 -0.43 -0.00 118.68 121.76 2qya s LEU 19 Ca -0.09 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2qya s LEU 19 Cb -0.15 -0.83 0.03 0.00 0.03 0.00 0.00 46.19 45.26 2qya s LEU 19 CO 0.05 0.14 0.05 0.00 0.23 0.00 0.00 176.35 176.82 2qya n ASP 21 N 4.20 2.64 -0.29 0.00 9.92 -0.69 0.06 116.55 132.39 2qya n ASP 21 Ca -0.28 1.08 0.07 0.00 -0.53 0.00 0.00 54.79 55.13 2qya n ASP 21 Cb 0.50 -1.32 0.22 0.00 -0.64 0.00 0.00 41.12 39.88 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 6.07 0.54 0.00 -1.24 4.81 -1.54 -1.46 114.58 121.77 2qya h GLU 22 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2qya h GLU 22 Cb 1.29 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2qya h GLU 22 CO 0.87 0.36 0.00 -0.25 -0.73 0.00 0.00 179.01 179.26 2qya n ASP 23 N -4.92 0.37 0.18 1.04 8.00 -1.26 -2.40 116.55 117.56 2qya n ASP 23 Ca 0.17 0.59 0.07 0.00 0.71 0.00 0.00 54.79 56.33 2qya n ASP 23 Cb 0.44 -0.67 0.13 0.00 -0.02 0.00 0.00 41.12 41.00 2qya n ASP 23 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2qya h LEU 24 N 0.00 0.00 -9.55 0.64 3.38 -1.63 -3.46 115.31 104.69 2qya h LEU 24 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2qya h LEU 24 Cb 0.32 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.12 2qya h LEU 24 CO 0.00 0.26 1.10 -0.11 0.09 0.00 0.00 178.44 179.78 2qya n LEU 25 N -3.18 4.08 0.00 1.67 7.94 -1.01 -1.77 117.00 124.73 2qya n LEU 25 Ca 0.03 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 2qya n LEU 25 Cb 0.62 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 43.01 2qya n LEU 25 CO 0.37 0.20 0.00 0.61 -1.11 0.00 0.00 177.39 177.46 2qya n GLY 26 N 4.19 3.06 3.61 -3.96 0.00 0.17 -5.02 105.19 107.24 2qya n GLY 26 Ca 0.17 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2qya n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qya n VAL 27 N 0.00 2.76 -4.11 1.61 0.31 -0.73 -4.38 118.33 113.79 2qya n VAL 27 Ca 0.00 -0.37 -0.35 0.00 -0.01 0.00 0.00 64.34 63.61 2qya n VAL 27 Cb 0.00 -1.09 -0.13 0.00 -0.91 0.00 0.00 33.84 31.72 2qya n VAL 27 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2qya s GLU 28 N -3.32 3.59 -0.07 5.55 2.02 -1.26 -1.02 118.70 124.19 2qya s GLU 28 Ca 0.73 -0.54 -0.03 0.00 0.02 0.00 0.00 54.97 55.15 2qya s GLU 28 Cb -0.34 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 2qya s GLU 28 CO 0.51 0.02 0.06 -0.51 0.02 0.00 0.00 175.26 175.35 2qya s LEU 29 N 0.97 3.89 -0.01 1.80 1.43 0.77 -4.97 118.68 122.56 2qya s LEU 29 Ca 0.01 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2qya s LEU 29 Cb -0.14 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.08 2qya s LEU 29 CO 0.01 0.36 0.01 -0.54 0.23 0.00 0.00 176.35 176.43 2qya s LYS 30 N -1.16 0.04 -0.30 1.70 1.02 -1.25 -0.72 119.74 119.07 2qya s LYS 30 Ca 0.16 0.10 -0.16 0.00 0.02 0.00 0.00 55.97 56.09 2qya s LYS 30 Cb -0.12 -0.20 0.17 0.00 -0.52 0.00 0.00 37.83 37.16 2qya s LYS 30 CO 0.06 -0.10 1.10 -0.47 -0.92 0.00 0.00 175.35 175.02 2qya s TYR 31 N 0.67 -0.42 -1.14 3.18 6.14 -0.89 -4.68 117.35 120.21 2qya s TYR 31 Ca -0.06 0.76 -0.22 0.00 0.64 0.00 0.00 57.07 58.20 2qya s TYR 31 Cb -0.08 0.25 -0.01 0.00 0.42 0.00 0.00 41.96 42.54 2qya s TYR 31 CO -0.02 -0.21 0.79 1.63 0.64 0.00 0.00 175.55 178.39 2qya n LYS 32 N 4.25 -1.18 -0.99 4.97 5.02 -1.26 -2.49 118.16 126.47 2qya n LYS 32 Ca -0.12 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2qya n LYS 32 Cb 0.55 -4.06 0.00 0.00 -0.02 0.00 0.00 35.03 31.50 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 -1.70 0.25 3.29 0.72 0.00 -1.26 -4.98 105.19 101.51 2qya n GLY 33 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.02 3.18 -0.19 1.61 0.52 -1.04 -5.10 118.95 116.91 2qya s ARG 34 Ca 0.00 -0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 54.33 2qya s ARG 34 Cb 0.00 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.35 2qya s ARG 34 CO 0.00 -0.30 0.18 0.99 0.02 0.00 0.00 175.30 176.19 2qya s THR 35 N 1.44 5.38 -0.09 0.02 2.01 -1.26 -2.09 115.64 121.05 2qya s THR 35 Ca 0.04 0.31 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 2qya s THR 35 Cb -0.15 -3.52 0.05 0.00 0.01 0.00 0.00 72.50 68.88 2qya s THR 35 CO -0.03 0.42 0.17 -0.22 -0.69 0.00 0.00 174.62 174.28 2qya s LEU 36 N 0.39 -0.04 -0.22 4.42 2.96 0.11 -5.00 118.68 121.30 2qya s LEU 36 Ca 0.11 0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 54.25 2qya s LEU 36 Cb -0.12 0.32 -0.05 0.00 0.50 0.00 0.00 46.19 46.85 2qya s LEU 36 CO -0.00 -0.24 0.22 -1.00 -1.32 0.00 0.00 176.35 174.01 2qya s HIS 37 N 2.22 3.36 -1.24 5.38 3.76 -1.26 -0.17 115.29 127.34 2qya s HIS 37 Ca 0.02 0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 55.15 2qya s HIS 37 Cb -0.12 -2.32 0.15 0.00 1.11 0.00 0.00 32.58 31.41 2qya s HIS 37 CO -0.06 0.10 1.55 -0.89 -0.85 0.00 0.00 174.74 174.59 2qya n ILE 38 N 4.12 4.20 -2.98 0.60 2.08 -0.19 -4.98 119.36 122.21 2qya n ILE 38 Ca -0.13 -4.55 -0.37 0.00 0.56 0.00 0.00 62.75 58.25 2qya n ILE 38 Cb 0.52 -2.44 -0.06 0.00 -0.75 0.00 0.00 39.64 36.91 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 2.84 7.20 0.20 4.38 1.04 -1.26 0.46 113.70 128.56 2qya s SER 39 Ca 0.44 1.59 -0.12 0.00 0.48 0.00 0.00 55.95 58.34 2qya s SER 39 Cb 0.00 -2.48 0.25 0.00 0.10 0.00 0.00 66.02 63.89 2qya s SER 39 CO 0.01 0.03 1.66 -0.33 0.98 0.00 0.00 173.24 175.59 2qya h GLU 40 N 3.48 0.09 -0.44 4.02 5.08 -1.95 0.48 114.58 125.34 2qya h GLU 40 Ca -0.47 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 2qya h GLU 40 Cb 1.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2qya h GLU 40 CO 0.65 0.06 0.15 -1.35 -1.00 0.00 0.00 179.01 177.52 2qya h PRO 41 N 0.09 0.64 0.09 2.33 0.11 -1.97 -1.59 132.00 131.70 2qya h PRO 41 Ca 0.29 -0.10 -0.32 0.00 0.11 0.00 0.00 66.00 65.99 2qya h PRO 41 Cb 0.47 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 2qya h PRO 41 CO -0.51 0.55 -1.68 0.74 -0.21 0.00 0.00 178.00 176.89 2qya h PHE 42 N 0.64 0.35 0.00 0.65 0.04 -1.83 -3.42 116.94 113.37 2qya h PHE 42 Ca 0.15 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.67 2qya h PHE 42 Cb 0.17 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2qya h PHE 42 CO 0.01 1.39 -1.35 0.66 -0.60 0.00 0.00 178.31 178.42 2qya n TYR 43 N -3.37 0.00 -1.02 -0.55 4.01 0.16 -5.00 117.16 111.40 2qya n TYR 43 Ca -0.20 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.20 2qya n TYR 43 Cb 1.05 -0.22 0.12 0.00 -0.31 0.00 0.00 39.34 39.97 2qya n TYR 43 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2qya n SER 44 N -1.79 -0.44 0.00 7.72 7.64 -0.61 -4.66 113.62 121.47 2qya n SER 44 Ca -0.00 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2qya n SER 44 Cb 0.37 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 2qya n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qya n GLY 45 N 1.06 -1.31 3.67 0.23 0.00 -1.26 -4.43 105.19 103.14 2qya n GLY 45 Ca 0.11 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.96 4.26 -0.26 1.61 2.20 -0.41 -4.62 119.74 121.56 2qya s LYS 46 Ca 0.00 1.79 -0.29 0.00 -0.36 0.00 0.00 55.97 57.11 2qya s LYS 46 Cb 0.00 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 2qya s LYS 46 CO 0.00 -0.64 1.53 0.45 -0.36 0.00 0.00 175.35 176.33 2qya s SER 47 N 2.01 6.42 0.22 1.43 0.15 -1.26 -0.82 113.70 121.86 2qya s SER 47 Ca 0.59 1.43 0.02 0.00 0.70 0.00 0.00 55.95 58.69 2qya s SER 47 Cb -0.26 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.47 2qya s SER 47 CO 0.20 -1.26 0.04 0.00 1.20 0.00 0.00 173.24 173.43 2qya s MET 48 N 4.63 1.29 0.42 5.44 0.23 0.30 -4.97 119.30 126.64 2qya s MET 48 Ca 0.67 -1.66 -0.24 0.00 -1.03 0.00 0.00 55.69 53.43 2qya s MET 48 Cb -0.22 -0.35 -0.08 0.00 -1.53 0.00 0.00 34.83 32.65 2qya s MET 48 CO 0.28 -0.19 1.14 -1.21 -2.03 0.00 0.00 175.02 173.02 2qya s GLU 49 N -3.95 3.96 0.13 3.16 8.01 -1.26 -1.09 118.70 127.66 2qya s GLU 49 Ca 0.31 1.75 -0.26 0.00 0.01 0.00 0.00 54.97 56.78 2qya s GLU 49 Cb 0.07 -2.55 -0.06 0.00 -4.31 0.00 0.00 34.13 27.28 2qya s GLU 49 CO 0.09 -0.37 1.32 -2.30 0.01 0.00 0.00 175.26 174.00 2qya n PRO 50 N -0.17 -0.37 -0.12 0.39 -0.02 -1.26 -0.57 135.00 132.88 2qya n PRO 50 Ca 0.06 1.29 -0.04 0.00 -2.02 0.00 0.00 63.50 62.78 2qya n PRO 50 Cb 0.48 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.09 2qya n PRO 50 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2qya h ASP 51 N 0.00 -0.15 -0.82 2.55 3.32 -1.97 -0.72 116.42 118.64 2qya h ASP 51 Ca 0.13 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 2qya h ASP 51 Cb 0.34 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 2qya h ASP 51 CO -0.78 -0.04 0.40 -0.09 -1.72 0.00 0.00 179.24 177.01 2qya h ARG 52 N 0.12 1.18 -0.56 3.56 2.43 -1.75 -2.07 114.38 117.29 2qya h ARG 52 Ca 0.20 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 2qya h ARG 52 Cb 0.29 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2qya h ARG 52 CO -0.33 0.91 -0.02 0.00 -1.51 0.00 0.00 179.97 179.02 2qya h ALA 53 N 1.26 0.92 -0.63 2.80 0.00 0.03 -2.64 119.26 120.99 2qya h ALA 53 Ca 0.28 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2qya h ALA 53 Cb 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2qya h ALA 53 CO -0.04 0.64 0.09 0.00 0.00 0.00 0.00 179.25 179.94 2qya h ALA 54 N 1.08 0.96 0.31 0.00 0.00 -0.86 0.05 119.26 120.80 2qya h ALA 54 Ca 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qya h ALA 54 Cb 0.54 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2qya h ALA 54 CO 0.03 0.65 -0.34 0.87 0.00 0.00 0.00 179.25 180.46 2qya h LYS 55 N 0.98 -0.66 -0.50 0.00 6.56 -1.36 -1.63 116.57 119.95 2qya h LYS 55 Ca 0.19 0.05 -0.05 0.00 -1.06 0.00 0.00 60.65 59.78 2qya h LYS 55 Cb 0.44 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.23 2qya h LYS 55 CO 0.01 -0.44 0.12 0.87 -2.06 0.00 0.00 179.45 177.95 2qya h LYS 56 N -0.69 0.76 -0.60 3.15 1.57 -1.19 -1.18 116.57 118.38 2qya h LYS 56 Ca -0.01 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 2qya h LYS 56 Cb 0.63 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2qya h LYS 56 CO -0.08 0.69 0.02 0.82 -0.57 0.00 0.00 179.45 180.33 2qya h ILE 57 N 0.74 1.27 -0.44 1.86 1.08 -0.95 -0.63 117.51 120.43 2qya h ILE 57 Ca 0.16 -1.13 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 2qya h ILE 57 Cb 0.27 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 2qya h ILE 57 CO -0.00 0.41 0.22 0.03 -0.69 0.00 0.00 178.15 178.12 2qya h ARG 58 N 0.96 0.63 -0.72 2.37 3.08 -0.93 -2.49 114.38 117.27 2qya h ARG 58 Ca 0.17 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2qya h ARG 58 Cb 0.54 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2qya h ARG 58 CO 0.03 0.53 0.41 0.93 -1.07 0.00 0.00 179.97 180.80 2qya h GLU 59 N 0.57 0.99 -0.58 0.04 5.08 -1.00 -2.21 114.58 117.47 2qya h GLU 59 Ca 0.15 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2qya h GLU 59 Cb 0.11 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2qya h GLU 59 CO -0.02 0.72 0.07 0.00 -1.00 0.00 0.00 179.01 178.79 2qya h ALA 60 N 1.21 0.77 -0.20 3.43 0.00 -1.01 -2.26 119.26 121.20 2qya h ALA 60 Ca 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qya h ALA 60 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2qya h ALA 60 CO -0.04 0.54 0.09 0.28 0.00 0.00 0.00 179.25 180.11 2qya h VAL 61 N 0.86 1.15 -0.62 0.00 2.07 -1.31 -1.40 116.25 117.00 2qya h VAL 61 Ca 0.17 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 2qya h VAL 61 Cb 0.45 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2qya h VAL 61 CO 0.02 0.15 0.24 1.56 0.02 0.00 0.00 177.57 179.55 2qya h GLN 62 N 0.18 0.91 -0.06 1.57 1.08 -1.36 0.34 115.11 117.77 2qya h GLN 62 Ca 0.07 -0.15 -0.12 0.00 -1.45 0.00 0.00 58.65 56.99 2qya h GLN 62 Cb 0.16 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2qya h GLN 62 CO -0.01 0.75 -0.53 1.49 -0.95 0.00 0.00 178.83 179.59 2qya h GLU 63 N 0.90 0.17 0.00 1.46 4.81 -1.27 -3.38 114.58 117.26 2qya h GLU 63 Ca 0.21 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 59.17 2qya h GLU 63 Cb 0.19 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2qya h GLU 63 CO -0.02 0.66 -1.79 0.66 -0.73 0.00 0.00 179.01 177.79 2qya n TYR 64 N -3.92 0.00 0.33 0.92 4.01 -0.54 -4.73 117.16 113.23 2qya n TYR 64 Ca -0.02 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.92 2qya n TYR 64 Cb 0.56 -0.54 1.07 0.00 -0.31 0.00 0.00 39.34 40.12 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 0.00 0.00 0.00 -0.72 4.11 -1.12 0.15 114.58 116.99 2qya h GLU 65 Ca -0.25 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.10 2qya h GLU 65 Cb 1.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2qya h GLU 65 CO 0.01 0.00 -1.26 -0.25 0.07 0.00 0.00 179.01 177.58 2qya n ASP 66 N -3.09 0.79 -0.07 3.06 9.92 -1.26 -4.47 116.55 121.42 2qya n ASP 66 Ca -0.02 0.32 -0.08 0.00 -0.53 0.00 0.00 54.79 54.48 2qya n ASP 66 Cb 0.18 0.43 -0.11 0.00 -0.64 0.00 0.00 41.12 40.99 2qya n ASP 66 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2qya n GLU 67 N -2.74 1.41 -4.27 -1.24 0.00 0.33 -4.95 120.64 109.18 2qya n GLU 67 Ca -0.05 0.02 -0.21 0.00 0.00 0.00 0.00 57.16 56.92 2qya n GLU 67 Cb 0.68 -1.36 -0.12 0.00 0.00 0.00 0.00 31.44 30.64 2qya n GLU 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2qya s LYS 68 N -2.35 1.10 0.22 5.31 -0.14 -0.11 -5.00 119.74 118.77 2qya s LYS 68 Ca -0.11 -1.24 -0.30 0.00 -1.36 0.00 0.00 55.97 52.96 2qya s LYS 68 Cb 0.05 -1.13 -0.09 0.00 -1.68 0.00 0.00 37.83 34.97 2qya s LYS 68 CO 0.54 0.24 1.39 0.99 -0.76 0.00 0.00 175.35 177.75 2qya s THR 69 N -1.78 2.90 -0.22 2.17 2.01 0.03 -4.43 115.64 116.32 2qya s THR 69 Ca 0.09 0.74 -0.03 0.00 0.31 0.00 0.00 61.69 62.80 2qya s THR 69 Cb -0.07 -3.47 -0.00 0.00 0.01 0.00 0.00 72.50 68.97 2qya s THR 69 CO 0.04 0.11 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.33 2qya s VAL 70 N 0.13 3.16 -0.19 3.82 1.01 -0.62 -0.32 120.40 127.41 2qya s VAL 70 Ca 0.59 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 2qya s VAL 70 Cb -0.40 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2qya s VAL 70 CO 0.40 0.43 0.02 0.00 0.00 0.00 0.00 175.10 175.96 2qya s ALA 71 N 1.45 3.18 -0.20 5.51 0.00 0.37 0.41 121.76 132.48 2qya s ALA 71 Ca 0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 2qya s ALA 71 Cb -0.14 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 2qya s ALA 71 CO -0.05 0.05 -0.05 0.42 0.00 0.00 0.00 175.76 176.14 2qya s ILE 72 N 0.63 3.48 -0.03 0.00 1.09 0.41 -0.33 121.20 126.45 2qya s ILE 72 Ca 0.01 -0.47 0.07 0.00 -1.10 0.00 0.00 60.65 59.16 2qya s ILE 72 Cb -0.14 -2.56 -0.02 0.00 -1.06 0.00 0.00 42.46 38.68 2qya s ILE 72 CO 0.02 0.44 -0.25 0.20 -0.10 0.00 0.00 174.94 175.25 2qya s ASN 73 N 1.16 2.96 -0.13 3.58 0.02 -0.43 -0.93 114.94 121.17 2qya s ASN 73 Ca 0.02 -0.46 -0.06 0.00 -1.02 0.00 0.00 52.86 51.34 2qya s ASN 73 Cb -0.14 -0.42 0.06 0.00 0.02 0.00 0.00 41.25 40.76 2qya s ASN 73 CO -0.01 0.30 0.28 0.00 0.02 0.00 0.00 177.10 177.69 2qya s ALA 74 N -0.51 -0.66 -0.15 0.60 0.00 0.53 -1.32 121.76 120.26 2qya s ALA 74 Ca 0.07 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2qya s ALA 74 Cb -0.10 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.21 2qya s ALA 74 CO -0.00 -0.38 -0.11 -1.17 0.00 0.00 0.00 175.76 174.10 2qya s LEU 75 N 1.72 1.63 0.00 0.00 2.96 0.22 -0.59 118.68 124.62 2qya s LEU 75 Ca -0.06 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 2qya s LEU 75 Cb -0.11 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.51 2qya s LEU 75 CO -0.09 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.45 2qya n GLY 76 N 4.82 3.17 0.13 7.98 0.00 -0.29 -1.70 105.19 119.29 2qya n GLY 76 Ca -0.15 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 43.79 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 0.32 -0.49 1.61 4.81 -1.96 0.32 114.58 119.19 2qya h GLU 77 Ca 0.00 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 2qya h GLU 77 Cb 0.00 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2qya h GLU 77 CO 0.00 0.80 0.20 1.25 -0.73 0.00 0.00 179.01 180.53 2qya h LEU 78 N -0.12 0.67 -0.65 1.64 5.85 -1.97 -1.52 115.31 119.21 2qya h LEU 78 Ca 0.00 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2qya h LEU 78 Cb 0.79 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2qya h LEU 78 CO 0.05 0.66 0.34 0.00 -0.34 0.00 0.00 178.44 179.15 2qya h ALA 79 N 1.04 0.83 0.00 1.25 0.00 -1.77 -2.27 119.26 118.34 2qya h ALA 79 Ca 0.16 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2qya h ALA 79 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qya h ALA 79 CO -0.01 0.36 -0.47 0.00 0.00 0.00 0.00 179.25 179.13 2qya h SER 81 N 0.00 0.00 -0.35 0.00 4.64 -1.01 -2.29 113.55 114.54 2qya h SER 81 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2qya h SER 81 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 2qya h SER 81 CO 0.06 0.27 -0.17 0.58 -0.87 0.00 0.00 176.83 176.70 2qya h VAL 82 N 0.00 1.29 -0.54 0.95 2.07 -0.90 0.31 116.25 119.43 2qya h VAL 82 Ca -0.00 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 2qya h VAL 82 Cb 0.57 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2qya h VAL 82 CO 0.04 0.42 0.19 0.58 0.02 0.00 0.00 177.57 178.81 2qya h VAL 83 N 0.51 1.23 -0.16 2.57 2.07 -1.37 0.13 116.25 121.23 2qya h VAL 83 Ca 0.08 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2qya h VAL 83 Cb 0.71 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2qya h VAL 83 CO 0.05 0.28 0.11 0.58 0.02 0.00 0.00 177.57 178.61 2qya h VAL 84 N 0.74 1.04 0.00 2.57 2.07 -1.31 -1.57 116.25 119.78 2qya h VAL 84 Ca 0.18 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 2qya h VAL 84 Cb 0.25 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2qya h VAL 84 CO -0.01 0.04 -0.15 0.44 0.02 0.00 0.00 177.57 177.91 2qya h ASP 85 N 0.22 0.00 0.68 0.57 3.32 -0.00 -0.28 116.42 120.93 2qya h ASP 85 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2qya h ASP 85 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2qya h ASP 85 CO -0.02 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.66 2qya n ALA 86 N -2.31 2.18 -1.38 3.45 0.00 0.43 -4.90 120.51 117.99 2qya n ALA 86 Ca -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.32 2qya n ALA 86 Cb 0.27 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 0.94 0.38 0.06 0.00 0.00 -0.11 -4.84 105.19 101.61 2qya n GLY 87 Ca 0.08 -1.02 0.06 0.00 0.00 0.00 0.00 46.02 45.15 2qya n GLY 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qya n LEU 88 N -0.01 0.30 -4.10 0.99 4.32 -0.62 -4.97 117.00 112.91 2qya n LEU 88 Ca -0.00 0.12 -0.11 0.00 -0.02 0.00 0.00 56.01 56.00 2qya n LEU 88 Cb 0.19 0.08 -0.07 0.00 -1.62 0.00 0.00 43.42 41.99 2qya n LEU 88 CO 0.00 0.06 -0.01 0.00 -1.22 0.00 0.00 177.39 176.22 2qya s ALA 89 N -3.24 0.54 0.12 -1.18 0.00 -1.24 -5.00 121.76 111.76 2qya s ALA 89 Ca -0.06 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 50.61 2qya s ALA 89 Cb 0.11 1.23 -0.04 0.00 0.00 0.00 0.00 23.12 24.42 2qya s ALA 89 CO 0.86 -0.73 0.05 1.03 0.00 0.00 0.00 175.76 176.97 2qya s ARG 90 N -3.95 2.69 0.63 0.00 0.52 -1.26 -4.45 118.95 113.13 2qya s ARG 90 Ca 0.31 -0.85 0.32 0.00 -0.52 0.00 0.00 55.73 54.98 2qya s ARG 90 Cb 0.03 -2.58 1.74 0.00 0.52 0.00 0.00 34.95 34.65 2qya s ARG 90 CO 0.12 0.52 2.04 0.93 0.02 0.00 0.00 175.30 178.93 2qya h GLU 91 N 3.03 0.00 0.00 3.54 5.08 -1.96 -0.08 114.58 124.19 2qya h GLU 91 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2qya h GLU 91 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2qya h GLU 91 CO 0.62 0.00 -0.62 -0.40 -1.00 0.00 0.00 179.01 177.61 2qya n ASP 92 N -3.30 0.58 -1.28 1.42 5.68 -1.26 -3.72 116.55 114.66 2qya n ASP 92 Ca 0.00 -0.22 0.12 0.00 -0.50 0.00 0.00 54.79 54.19 2qya n ASP 92 Cb 0.36 0.35 0.30 0.00 -1.14 0.00 0.00 41.12 40.99 2qya n ASP 92 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2qya n GLU 93 N -1.67 2.62 -2.56 0.11 0.28 -0.05 -4.89 120.64 114.48 2qya n GLU 93 Ca 0.05 -2.50 -0.42 0.00 -0.16 0.00 0.00 57.16 54.12 2qya n GLU 93 Cb 0.37 -1.55 -0.03 0.00 1.43 0.00 0.00 31.44 31.66 2qya n GLU 93 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2qya s ILE 94 N -1.13 4.45 0.00 3.84 -1.09 -1.22 -4.93 121.20 121.12 2qya s ILE 94 Ca 0.46 1.76 0.00 0.00 -2.23 0.00 0.00 60.65 60.64 2qya s ILE 94 Cb 0.24 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 2qya s ILE 94 CO 0.32 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 2qya n GLY 95 N 3.13 1.65 3.07 6.18 0.00 0.13 -4.89 105.19 114.45 2qya n GLY 95 Ca 0.08 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 2qya n GLY 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qya s GLU 96 N 2.84 0.54 -0.22 1.61 4.04 -1.26 -1.13 118.70 125.12 2qya s GLU 96 Ca 0.00 -1.02 -0.14 0.00 0.04 0.00 0.00 54.97 53.84 2qya s GLU 96 Cb 0.00 0.19 0.06 0.00 0.02 0.00 0.00 34.13 34.41 2qya s GLU 96 CO 0.00 -0.10 0.54 -1.17 -1.84 0.00 0.00 175.26 172.69 2qya s LEU 97 N -2.50 -0.38 -1.33 1.83 2.96 0.64 -4.71 118.68 115.19 2qya s LEU 97 Ca 0.00 1.16 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 2qya s LEU 97 Cb 0.03 1.84 0.00 0.00 0.50 0.00 0.00 46.19 48.56 2qya s LEU 97 CO -0.07 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 2qya n GLY 98 N 3.87 1.20 1.67 7.98 0.00 -1.26 -1.06 105.19 117.58 2qya n GLY 98 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.12 0.48 3.05 -0.02 0.00 -1.26 -4.30 105.19 103.26 2qya n GLY 99 Ca -0.13 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 0.76 0.57 1.61 1.01 -0.23 -5.12 120.40 116.99 2qya s VAL 100 Ca 0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 2qya s VAL 100 Cb 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 2qya s VAL 100 CO 0.00 0.09 1.23 -2.65 0.00 0.00 0.00 175.10 173.77 2qya n PRO 101 N 2.52 1.38 -3.71 2.72 -0.02 -1.26 -0.26 135.00 136.36 2qya n PRO 101 Ca -0.15 0.51 -0.13 0.00 -2.02 0.00 0.00 63.50 61.71 2qya n PRO 101 Cb 0.56 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.36 -0.52 -0.01 6.00 2.46 -0.29 -1.13 115.29 120.44 2qya s HIS 102 Ca 0.74 1.27 0.00 0.00 0.47 0.00 0.00 55.06 57.55 2qya s HIS 102 Cb -0.42 0.18 0.01 0.00 -0.13 0.00 0.00 32.58 32.22 2qya s HIS 102 CO 0.48 -0.25 -0.01 0.54 -2.47 0.00 0.00 174.74 173.03 2qya s VAL 103 N 0.28 0.09 -0.20 0.89 0.11 0.25 -0.70 120.40 121.12 2qya s VAL 103 Ca -0.00 -0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 2qya s VAL 103 Cb -0.03 -0.11 0.08 0.00 -1.53 0.00 0.00 36.38 34.78 2qya s VAL 103 CO 0.00 0.05 0.15 -1.58 -3.33 0.00 0.00 175.10 170.39 2qya s GLN 104 N 0.23 0.13 0.08 1.54 0.74 -1.26 -0.35 119.66 120.78 2qya s GLN 104 Ca -0.02 -0.03 0.04 0.00 0.05 0.00 0.00 55.36 55.39 2qya s GLN 104 Cb -0.04 -1.51 -0.03 0.00 1.10 0.00 0.00 33.01 32.53 2qya s GLN 104 CO -0.01 -0.71 -0.10 -1.64 -0.55 0.00 0.00 175.29 172.28 2qya s MET 105 N 2.21 0.76 0.04 1.67 -1.94 -0.11 -5.01 119.30 116.92 2qya s MET 105 Ca 0.05 -1.02 0.08 0.00 -1.71 0.00 0.00 55.69 53.08 2qya s MET 105 Cb -0.16 -0.53 -0.02 0.00 2.01 0.00 0.00 34.83 36.13 2qya s MET 105 CO -0.14 0.09 -0.22 0.71 -0.01 0.00 0.00 175.02 175.45 2qya s TYR 106 N -1.96 1.94 -0.40 -0.03 2.02 -1.26 -0.44 117.35 117.22 2qya s TYR 106 Ca 0.00 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 2qya s TYR 106 Cb -0.06 -1.17 0.11 0.00 -0.40 0.00 0.00 41.96 40.44 2qya s TYR 106 CO 0.00 0.09 0.20 0.42 -1.57 0.00 0.00 175.55 174.69 2qya s ILE 107 N -0.77 3.26 0.05 2.71 1.01 0.17 -4.99 121.20 122.63 2qya s ILE 107 Ca 0.09 -2.05 -0.17 0.00 0.00 0.00 0.00 60.65 58.52 2qya s ILE 107 Cb -0.09 -3.23 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 2qya s ILE 107 CO 0.02 -0.68 0.49 -0.76 0.00 0.00 0.00 174.94 174.01 2qya s LEU 108 N 1.14 4.49 0.33 2.97 1.43 -1.26 -1.58 118.68 126.19 2qya s LEU 108 Ca 0.08 1.10 -0.25 0.00 -1.03 0.00 0.00 54.13 54.04 2qya s LEU 108 Cb -0.23 -2.78 -0.10 0.00 0.03 0.00 0.00 46.19 43.11 2qya s LEU 108 CO -0.04 0.28 0.92 -2.16 0.23 0.00 0.00 176.35 175.58 2qya s PRO 109 N -1.18 4.49 0.33 1.29 0.04 -1.26 -5.03 135.00 133.68 2qya s PRO 109 Ca 0.27 1.24 -0.20 0.00 0.04 0.00 0.00 61.00 62.36 2qya s PRO 109 Cb -0.18 -2.71 -0.10 0.00 0.04 0.00 0.00 34.50 31.55 2qya s PRO 109 CO 0.16 0.24 0.83 1.03 0.04 0.00 0.00 177.00 179.31 2qya s ARG 110 N -2.22 4.24 0.45 4.56 1.81 -1.26 -5.05 118.95 121.47 2qya s ARG 110 Ca 0.51 0.97 -0.20 0.00 -1.72 0.00 0.00 55.73 55.29 2qya s ARG 110 Cb -0.17 -2.53 -0.14 0.00 -0.45 0.00 0.00 34.95 31.66 2qya s ARG 110 CO 0.22 0.18 0.22 -1.91 -0.68 0.00 0.00 175.30 173.33 2qya n GLU 111 N -0.02 0.22 -3.25 3.54 4.07 -1.26 -4.93 120.64 119.02 2qya n GLU 111 Ca 0.03 0.08 -0.33 0.00 -0.06 0.00 0.00 57.16 56.88 2qya n GLU 111 Cb 0.52 -1.23 -0.06 0.00 -0.06 0.00 0.00 31.44 30.61 2qya n GLU 111 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2qya s PRO 112 N -1.31 3.95 -0.59 5.31 0.04 -1.26 -5.03 135.00 136.11 2qya s PRO 112 Ca 0.61 0.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.01 2qya s PRO 112 Cb -0.57 -2.58 0.11 0.00 0.04 0.00 0.00 34.50 31.51 2qya s PRO 112 CO 0.61 0.25 0.67 0.12 0.04 0.00 0.00 177.00 178.69 2qya s PHE 113 N -1.85 3.08 0.29 0.56 5.36 -1.26 -4.95 117.98 119.21 2qya s PHE 113 Ca 0.50 -1.08 0.02 0.00 -0.96 0.00 0.00 56.93 55.40 2qya s PHE 113 Cb -0.11 -3.96 0.59 0.00 -0.34 0.00 0.00 43.02 39.19 2qya s PHE 113 CO 0.19 -1.22 1.84 1.25 -1.46 0.00 0.00 175.22 175.81 2qya h LEU 114 N 9.65 0.90 -1.04 6.12 5.85 -2.05 0.73 115.31 135.47 2qya h LEU 114 Ca -0.27 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2qya h LEU 114 Cb 1.09 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2qya h LEU 114 CO 1.08 0.47 0.00 -0.62 -0.34 0.00 0.00 178.44 179.03 2qya n GLU 115 N -4.62 1.55 0.00 1.25 4.71 -1.26 -5.37 120.64 116.90 2qya n GLU 115 Ca 0.19 -0.55 0.14 0.00 -0.01 0.00 0.00 57.16 56.93 2qya n GLU 115 Cb 0.37 -1.40 0.45 0.00 -1.01 0.00 0.00 31.44 29.85 2qya n GLU 115 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63