#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qyn s THR 10 N 0.00 -0.55 -0.04 3.17 2.01 -0.81 -4.96 115.64 114.46 1qyn s THR 10 Ca 0.00 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.09 1qyn s THR 10 Cb 0.00 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.67 1qyn s THR 10 CO 0.00 0.03 -0.09 0.12 -0.69 0.00 0.00 174.62 173.98 1qyn s PHE 11 N 2.33 1.06 -0.15 4.92 5.36 -1.26 -1.75 117.98 128.49 1qyn s PHE 11 Ca -0.06 -0.30 -0.06 0.00 -0.96 0.00 0.00 56.93 55.55 1qyn s PHE 11 Cb -0.10 -0.78 0.07 0.00 -0.34 0.00 0.00 43.02 41.87 1qyn s PHE 11 CO -0.16 -0.15 0.32 -1.14 -1.46 0.00 0.00 175.22 172.63 1qyn s GLN 12 N 0.39 0.22 -0.07 10.12 2.00 -0.89 -4.99 119.66 126.44 1qyn s GLN 12 Ca -0.07 0.85 -0.30 0.00 -2.00 0.00 0.00 55.36 53.84 1qyn s GLN 12 Cb -0.11 0.09 -0.03 0.00 0.80 0.00 0.00 33.01 33.77 1qyn s GLN 12 CO 0.01 -0.27 1.15 0.42 -0.50 0.00 0.00 175.29 176.10 1qyn s ILE 13 N 2.42 4.40 -0.20 -2.34 1.01 -1.26 -1.32 121.20 123.91 1qyn s ILE 13 Ca -0.01 1.71 0.18 0.00 0.00 0.00 0.00 60.65 62.53 1qyn s ILE 13 Cb -0.12 -4.10 -0.25 0.00 0.01 0.00 0.00 42.46 38.00 1qyn s ILE 13 CO -0.10 -0.00 0.08 0.00 0.00 0.00 0.00 174.94 174.92 1qyn n GLN 14 N 5.15 0.69 -3.57 2.79 1.13 0.52 -4.98 117.38 119.11 1qyn n GLN 14 Ca 0.10 -0.01 -0.08 0.00 -1.94 0.00 0.00 57.00 55.08 1qyn n GLN 14 Cb 0.47 -1.52 -0.04 0.00 0.11 0.00 0.00 30.24 29.26 1qyn n GLN 14 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1qyn s ARG 15 N -2.50 0.55 -0.04 -1.09 3.52 -1.10 -4.93 118.95 113.35 1qyn s ARG 15 Ca -0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 55.73 55.45 1qyn s ARG 15 Cb 0.06 0.25 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 1qyn s ARG 15 CO 0.83 -0.20 0.08 0.42 -0.81 0.00 0.00 175.30 175.61 1qyn s ILE 16 N -1.89 -0.06 0.16 4.11 1.01 -1.26 -0.97 121.20 122.30 1qyn s ILE 16 Ca 0.03 0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.67 1qyn s ILE 16 Cb -0.01 -0.15 0.06 0.00 0.01 0.00 0.00 42.46 42.38 1qyn s ILE 16 CO -0.03 0.08 0.59 -0.72 0.00 0.00 0.00 174.94 174.86 1qyn s TYR 17 N 1.14 -0.49 -0.42 3.97 -0.85 -0.06 -4.99 117.35 115.66 1qyn s TYR 17 Ca -0.09 0.25 -0.17 0.00 -0.52 0.00 0.00 57.07 56.55 1qyn s TYR 17 Cb -0.12 0.54 0.02 0.00 0.38 0.00 0.00 41.96 42.77 1qyn s TYR 17 CO -0.04 -0.85 0.43 0.99 -1.52 0.00 0.00 175.55 174.55 1qyn s THR 18 N -3.76 5.10 0.16 -3.49 2.01 -1.26 0.13 115.64 114.52 1qyn s THR 18 Ca 0.02 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 61.74 1qyn s THR 18 Cb -0.01 -4.03 -0.14 0.00 0.01 0.00 0.00 72.50 68.34 1qyn s THR 18 CO -0.12 -0.41 1.40 0.11 -0.69 0.00 0.00 174.62 174.91 1qyn h LYS 19 N 8.72 0.00 -2.24 4.92 1.57 -1.56 -3.46 116.57 124.51 1qyn h LYS 19 Ca -0.26 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 1qyn h LYS 19 Cb 1.11 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.20 1qyn h LYS 19 CO 0.79 0.85 -0.02 0.34 -0.57 0.00 0.00 179.45 180.84 1qyn s ASP 20 N -6.74 -0.69 -0.02 0.86 -1.08 -1.15 -4.99 116.67 102.86 1qyn s ASP 20 Ca 0.00 1.26 0.03 0.00 -0.52 0.00 0.00 52.55 53.32 1qyn s ASP 20 Cb 0.11 1.23 -0.00 0.00 -1.46 0.00 0.00 42.92 42.80 1qyn s ASP 20 CO 0.80 -0.22 -0.10 -0.63 0.52 0.00 0.00 175.17 175.54 1qyn s ILE 21 N 0.70 0.85 -0.11 4.11 -1.09 -1.26 -1.45 121.20 122.95 1qyn s ILE 21 Ca -0.03 -0.43 -0.07 0.00 -2.23 0.00 0.00 60.65 57.89 1qyn s ILE 21 Cb -0.05 -0.73 0.04 0.00 -1.58 0.00 0.00 42.46 40.14 1qyn s ILE 21 CO -0.05 0.25 0.27 -0.55 -1.23 0.00 0.00 174.94 173.63 1qyn s SER 22 N -0.04 -0.29 -0.05 3.58 0.15 -0.00 -5.00 113.70 112.05 1qyn s SER 22 Ca 0.00 0.57 -0.02 0.00 0.70 0.00 0.00 55.95 57.20 1qyn s SER 22 Cb -0.07 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.75 1qyn s SER 22 CO 0.00 -0.15 0.10 0.12 1.20 0.00 0.00 173.24 174.51 1qyn s PHE 23 N 0.99 -0.10 -0.02 3.44 5.36 -1.26 -0.29 117.98 126.10 1qyn s PHE 23 Ca -0.07 0.33 -0.01 0.00 -0.96 0.00 0.00 56.93 56.23 1qyn s PHE 23 Cb -0.08 -0.09 0.01 0.00 -0.34 0.00 0.00 43.02 42.52 1qyn s PHE 23 CO -0.07 -0.12 0.04 -1.21 -1.46 0.00 0.00 175.22 172.40 1qyn s GLU 24 N 0.85 0.01 -0.48 10.12 2.02 0.16 -4.98 118.70 126.40 1qyn s GLU 24 Ca -0.07 0.11 0.08 0.00 0.02 0.00 0.00 54.97 55.11 1qyn s GLU 24 Cb -0.09 -0.09 0.30 0.00 0.10 0.00 0.00 34.13 34.35 1qyn s GLU 24 CO -0.04 -0.07 0.73 0.00 0.02 0.00 0.00 175.26 175.90 1qyn n ALA 25 N 3.51 3.19 -0.37 5.21 0.00 -1.26 -0.29 120.51 130.50 1qyn n ALA 25 Ca -0.18 -4.01 0.30 0.00 0.00 0.00 0.00 53.44 49.55 1qyn n ALA 25 Cb 0.56 -0.85 0.56 0.00 0.00 0.00 0.00 19.45 19.73 1qyn n ALA 25 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qyn h PRO 26 N 3.52 0.19 -0.51 0.00 0.13 -1.90 0.78 132.00 134.21 1qyn h PRO 26 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1qyn h PRO 26 Cb 0.77 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1qyn h PRO 26 CO 0.64 0.12 0.00 0.09 -0.23 0.00 0.00 178.00 178.62 1qyn n ASN 27 N -4.91 3.36 -0.09 1.44 5.03 -1.26 -4.86 115.26 113.97 1qyn n ASN 27 Ca 0.34 -1.99 -0.02 0.00 0.87 0.00 0.00 54.58 53.78 1qyn n ASN 27 Cb 1.19 -0.34 -0.02 0.00 -1.02 0.00 0.00 39.78 39.59 1qyn n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qyn n ALA 28 N 1.02 -0.14 -0.02 5.41 0.00 0.27 -0.90 120.51 126.15 1qyn n ALA 28 Ca 0.17 0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.74 1qyn n ALA 28 Cb 0.51 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1qyn n ALA 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qyn h PRO 29 N 0.00 -0.16 0.00 0.00 0.11 -1.89 -3.10 132.00 126.97 1qyn h PRO 29 Ca 0.03 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.03 1qyn h PRO 29 Cb 0.09 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 1qyn h PRO 29 CO -0.20 -0.11 -0.57 0.45 -0.21 0.00 0.00 178.00 177.37 1qyn h HIS 30 N -0.16 0.00 0.00 0.65 3.86 -1.89 -2.96 115.15 114.65 1qyn h HIS 30 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1qyn h HIS 30 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1qyn h HIS 30 CO -0.54 0.57 0.00 1.55 0.86 0.00 0.00 177.93 180.37 1qyn n VAL 31 N -3.73 1.15 0.25 2.45 3.14 -0.08 -1.90 118.33 119.61 1qyn n VAL 31 Ca -0.01 0.29 0.14 0.00 -2.96 0.00 0.00 64.34 61.79 1qyn n VAL 31 Cb 0.60 -1.17 0.51 0.00 -1.06 0.00 0.00 33.84 32.72 1qyn n VAL 31 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 1qyn h PHE 32 N 0.00 0.00 0.00 1.45 0.04 -1.44 -2.73 116.94 114.25 1qyn h PHE 32 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1qyn h PHE 32 Cb 0.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 1qyn h PHE 32 CO 0.00 0.09 -0.10 -0.56 -0.60 0.00 0.00 178.31 177.14 1qyn h GLN 33 N 0.00 0.00 -5.11 1.51 3.07 -1.61 -3.33 115.11 109.63 1qyn h GLN 33 Ca -0.00 0.00 -0.68 0.00 0.09 0.00 0.00 58.65 58.06 1qyn h GLN 33 Cb 0.69 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 28.08 1qyn h GLN 33 CO 0.01 0.10 0.91 0.15 0.09 0.00 0.00 178.83 180.09 1qyn s LYS 34 N -4.11 3.62 -0.64 0.06 1.02 -1.03 -4.97 119.74 113.68 1qyn s LYS 34 Ca -0.02 -1.73 -0.18 0.00 0.02 0.00 0.00 55.97 54.05 1qyn s LYS 34 Cb 0.13 -4.96 0.12 0.00 -0.52 0.00 0.00 37.83 32.59 1qyn s LYS 34 CO 0.56 -1.81 0.74 0.16 -0.92 0.00 0.00 175.35 174.08 1qyn s ASP 35 N 3.73 6.28 0.03 2.83 -4.77 -1.25 -4.97 116.67 118.54 1qyn s ASP 35 Ca 0.34 -1.63 -0.27 0.00 -3.30 0.00 0.00 52.55 47.69 1qyn s ASP 35 Cb -0.04 -2.30 0.10 0.00 -1.09 0.00 0.00 42.92 39.59 1qyn s ASP 35 CO -0.09 -1.05 1.22 -1.66 0.70 0.00 0.00 175.17 174.29 1qyn s TRP 36 N 2.39 0.01 -0.27 2.11 -2.14 -1.26 -5.11 118.94 114.68 1qyn s TRP 36 Ca 0.14 -0.19 -0.29 0.00 2.66 0.00 0.00 56.10 58.42 1qyn s TRP 36 Cb -0.21 0.59 -0.02 0.00 -3.10 0.00 0.00 33.47 30.72 1qyn s TRP 36 CO 0.03 -0.43 1.67 -1.14 -2.66 0.00 0.00 176.95 174.42 1qyn s GLN 37 N -2.20 3.63 0.29 3.25 2.00 -1.26 -4.90 119.66 120.47 1qyn s GLN 37 Ca 0.23 1.55 -0.28 0.00 -2.00 0.00 0.00 55.36 54.87 1qyn s GLN 37 Cb 0.00 -4.09 -0.09 0.00 0.80 0.00 0.00 33.01 29.63 1qyn s GLN 37 CO -0.00 -1.49 0.98 -1.25 -0.50 0.00 0.00 175.29 173.02 1qyn s PRO 38 N 5.02 4.65 0.08 1.67 0.04 -1.26 -4.99 135.00 140.20 1qyn s PRO 38 Ca 0.74 1.48 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 1qyn s PRO 38 Cb -0.24 -3.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 1qyn s PRO 38 CO 0.31 0.31 1.56 -2.00 0.04 0.00 0.00 177.00 177.22 1qyn s GLU 39 N -1.69 4.23 -0.00 4.56 2.56 -0.19 -4.75 118.70 123.43 1qyn s GLU 39 Ca 0.47 2.23 0.02 0.00 0.00 0.00 0.00 54.97 57.69 1qyn s GLU 39 Cb -0.24 -3.48 -0.04 0.00 2.00 0.00 0.00 34.13 32.38 1qyn s GLU 39 CO 0.30 -0.65 -0.02 0.08 -0.56 0.00 0.00 175.26 174.41 1qyn s VAL 40 N 2.16 3.98 -0.09 3.70 1.01 -1.26 -1.50 120.40 128.41 1qyn s VAL 40 Ca 0.70 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1qyn s VAL 40 Cb -0.38 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1qyn s VAL 40 CO 0.31 0.39 -0.06 -0.75 0.00 0.00 0.00 175.10 174.98 1qyn s LYS 41 N -1.50 1.24 0.03 2.72 2.20 0.11 -4.99 119.74 119.56 1qyn s LYS 41 Ca 0.19 -0.18 0.02 0.00 -0.36 0.00 0.00 55.97 55.64 1qyn s LYS 41 Cb -0.11 -1.31 -0.04 0.00 -1.51 0.00 0.00 37.83 34.86 1qyn s LYS 41 CO 0.09 -0.20 0.03 -1.17 -0.36 0.00 0.00 175.35 173.74 1qyn s LEU 42 N 1.48 3.62 -0.09 5.43 2.96 -1.26 -0.30 118.68 130.51 1qyn s LEU 42 Ca -0.01 -0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.83 1qyn s LEU 42 Cb -0.13 -2.18 0.03 0.00 0.50 0.00 0.00 46.19 44.41 1qyn s LEU 42 CO -0.04 0.24 0.22 -0.62 -1.32 0.00 0.00 176.35 174.83 1qyn s ASP 43 N -1.90 -0.23 0.14 3.68 -1.08 0.34 -4.99 116.67 112.63 1qyn s ASP 43 Ca 0.23 0.47 0.10 0.00 -0.52 0.00 0.00 52.55 52.83 1qyn s ASP 43 Cb -0.12 0.40 -0.04 0.00 -1.46 0.00 0.00 42.92 41.71 1qyn s ASP 43 CO 0.15 -0.13 -0.25 -0.76 0.52 0.00 0.00 175.17 174.70 1qyn s LEU 44 N 0.76 2.35 -0.13 -1.34 1.43 -1.26 -0.70 118.68 119.79 1qyn s LEU 44 Ca -0.05 -0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 52.19 1qyn s LEU 44 Cb -0.07 -1.12 0.04 0.00 0.03 0.00 0.00 46.19 45.07 1qyn s LEU 44 CO -0.05 0.13 0.32 -1.81 0.23 0.00 0.00 176.35 175.17 1qyn s ASP 45 N -2.19 -0.35 -0.07 2.29 1.01 -0.41 -4.99 116.67 111.96 1qyn s ASP 45 Ca 0.14 0.66 0.01 0.00 0.71 0.00 0.00 52.55 54.06 1qyn s ASP 45 Cb -0.09 0.61 0.02 0.00 1.01 0.00 0.00 42.92 44.46 1qyn s ASP 45 CO 0.06 -0.14 -0.06 0.42 0.21 0.00 0.00 175.17 175.66 1qyn s THR 46 N 0.72 0.76 -0.00 -1.27 -4.23 -1.26 -0.30 115.64 110.06 1qyn s THR 46 Ca -0.05 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1qyn s THR 46 Cb -0.06 -0.78 -0.00 0.00 1.34 0.00 0.00 72.50 73.01 1qyn s THR 46 CO -0.05 0.29 -0.01 0.00 -0.54 0.00 0.00 174.62 174.32 1qyn s ALA 47 N 1.22 0.09 0.38 3.99 0.00 -0.81 -5.00 121.76 121.62 1qyn s ALA 47 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1qyn s ALA 47 Cb -0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1qyn s ALA 47 CO -0.02 0.02 0.02 -1.13 0.00 0.00 0.00 175.76 174.65 1qyn n SER 48 N 3.08 2.75 -3.57 0.00 3.41 -1.26 -0.34 113.62 117.69 1qyn n SER 48 Ca -0.13 -2.73 -0.06 0.00 -0.26 0.00 0.00 58.87 55.69 1qyn n SER 48 Cb 0.59 0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.89 1qyn n SER 48 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1qyn s SER 49 N -3.14 -0.23 -0.33 4.04 1.04 -0.62 -4.98 113.70 109.48 1qyn s SER 49 Ca 0.03 0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 1qyn s SER 49 Cb 0.00 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 1qyn s SER 49 CO 0.02 -0.34 0.20 -1.58 0.98 0.00 0.00 173.24 172.52 1qyn s GLN 50 N -2.31 3.37 0.07 4.02 0.74 -1.26 -0.36 119.66 123.93 1qyn s GLN 50 Ca 0.07 -0.71 0.03 0.00 0.05 0.00 0.00 55.36 54.80 1qyn s GLN 50 Cb -0.01 -3.70 -0.24 0.00 1.10 0.00 0.00 33.01 30.16 1qyn s GLN 50 CO -0.05 -0.46 1.12 -0.07 -0.55 0.00 0.00 175.29 175.28 1qyn h LEU 51 N 8.43 0.16 0.00 3.68 3.38 -1.16 -3.48 115.31 126.31 1qyn h LEU 51 Ca -0.31 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1qyn h LEU 51 Cb 1.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1qyn h LEU 51 CO 0.63 1.15 0.00 0.00 0.09 0.00 0.00 178.44 180.31 1qyn n ALA 52 N -2.46 0.00 -2.62 1.53 0.00 -0.69 -5.02 120.51 111.24 1qyn n ALA 52 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1qyn n ALA 52 Cb 0.99 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.41 1qyn n ALA 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qyn s ASP 53 N 1.33 7.19 -1.75 0.00 -1.08 -1.26 -3.16 116.67 117.95 1qyn s ASP 53 Ca 0.00 1.60 0.00 0.00 -0.52 0.00 0.00 52.55 53.63 1qyn s ASP 53 Cb 0.00 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1qyn s ASP 53 CO 0.00 -0.49 0.00 0.47 0.52 0.00 0.00 175.17 175.67 1qyn n ASP 54 N 5.11 -5.62 -3.87 -0.34 8.00 -1.26 -4.93 116.55 113.63 1qyn n ASP 54 Ca 0.09 0.41 -0.30 0.00 0.71 0.00 0.00 54.79 55.71 1qyn n ASP 54 Cb 0.48 -4.57 -0.16 0.00 -0.02 0.00 0.00 41.12 36.85 1qyn n ASP 54 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qyn s VAL 55 N -2.40 1.24 0.29 2.53 1.01 -1.19 -1.38 120.40 120.49 1qyn s VAL 55 Ca 0.00 -1.13 0.10 0.00 0.00 0.00 0.00 61.98 60.96 1qyn s VAL 55 Cb 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1qyn s VAL 55 CO 0.00 -0.22 -0.08 -0.31 0.00 0.00 0.00 175.10 174.49 1qyn s TYR 56 N 1.51 2.50 -0.18 5.22 1.51 0.79 -0.57 117.35 128.13 1qyn s TYR 56 Ca -0.02 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1qyn s TYR 56 Cb -0.18 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.53 1qyn s TYR 56 CO -0.09 0.64 -0.14 -2.00 -1.11 0.00 0.00 175.55 172.84 1qyn s GLU 57 N -3.61 2.42 -0.09 -0.62 2.12 0.51 -0.27 118.70 119.16 1qyn s GLU 57 Ca 0.31 -0.80 -0.03 0.00 0.36 0.00 0.00 54.97 54.82 1qyn s GLU 57 Cb -0.04 -2.41 -0.03 0.00 0.26 0.00 0.00 34.13 31.90 1qyn s GLU 57 CO 0.18 -0.32 0.02 0.08 -0.54 0.00 0.00 175.26 174.68 1qyn s VAL 58 N 1.36 4.48 -0.06 3.70 1.01 -0.44 -1.59 120.40 128.86 1qyn s VAL 58 Ca 0.02 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1qyn s VAL 58 Cb -0.15 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1qyn s VAL 58 CO -0.10 0.60 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 1qyn s VAL 59 N -0.87 1.55 -0.19 2.92 1.01 0.54 -1.17 120.40 124.19 1qyn s VAL 59 Ca 0.13 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1qyn s VAL 59 Cb -0.11 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1qyn s VAL 59 CO 0.02 0.45 -0.15 -0.22 0.00 0.00 0.00 175.10 175.20 1qyn s LEU 60 N 0.20 2.39 -0.16 3.92 0.20 0.69 -1.93 118.68 123.99 1qyn s LEU 60 Ca -0.09 -0.56 -0.04 0.00 0.69 0.00 0.00 54.13 54.14 1qyn s LEU 60 Cb -0.14 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.03 1qyn s LEU 60 CO 0.04 -0.00 -0.04 -0.60 -0.29 0.00 0.00 176.35 175.46 1qyn s ARG 61 N 1.34 3.66 -0.09 1.98 3.52 0.59 -0.09 118.95 129.85 1qyn s ARG 61 Ca 0.05 -0.52 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 1qyn s ARG 61 Cb -0.13 -2.93 0.02 0.00 -1.56 0.00 0.00 34.95 30.35 1qyn s ARG 61 CO -0.09 0.21 -0.12 0.08 -0.81 0.00 0.00 175.30 174.57 1qyn s VAL 62 N 0.44 1.23 -0.09 7.11 1.01 0.69 -1.29 120.40 129.49 1qyn s VAL 62 Ca -0.04 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1qyn s VAL 62 Cb -0.14 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 1qyn s VAL 62 CO 0.03 0.39 -0.24 -0.89 0.00 0.00 0.00 175.10 174.39 1qyn s THR 63 N 1.04 2.04 -0.17 3.92 2.01 0.12 -1.19 115.64 123.40 1qyn s THR 63 Ca -0.07 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.92 1qyn s THR 63 Cb -0.15 -1.75 0.03 0.00 0.01 0.00 0.00 72.50 70.64 1qyn s THR 63 CO -0.01 0.56 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.67 1qyn s VAL 64 N 0.25 1.56 -0.17 3.82 1.01 0.30 -0.50 120.40 126.67 1qyn s VAL 64 Ca -0.16 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1qyn s VAL 64 Cb -0.17 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1qyn s VAL 64 CO 0.08 0.29 -0.00 -0.89 0.00 0.00 0.00 175.10 174.58 1qyn s THR 65 N 1.46 4.21 0.00 3.92 2.01 0.59 -1.76 115.64 126.06 1qyn s THR 65 Ca 0.02 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.82 1qyn s THR 65 Cb -0.15 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 1qyn s THR 65 CO -0.09 0.48 -0.15 0.00 -0.69 0.00 0.00 174.62 174.16 1qyn s ALA 66 N 0.41 1.26 0.01 7.40 0.00 -0.59 0.08 121.76 130.33 1qyn s ALA 66 Ca -0.01 -0.71 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 1qyn s ALA 66 Cb -0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1qyn s ALA 66 CO 0.02 0.29 0.09 -1.54 0.00 0.00 0.00 175.76 174.62 1qyn s SER 67 N -0.59 0.10 -0.19 0.00 1.04 -0.56 -0.63 113.70 112.87 1qyn s SER 67 Ca 0.05 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1qyn s SER 67 Cb -0.06 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1qyn s SER 67 CO 0.00 -0.37 -0.17 -0.76 0.98 0.00 0.00 173.24 172.92 1qyn s LEU 68 N -1.48 2.32 0.00 2.42 1.43 -0.03 -1.02 118.68 122.32 1qyn s LEU 68 Ca -0.14 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1qyn s LEU 68 Cb -0.08 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1qyn s LEU 68 CO 0.00 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1qyn n GLY 69 N 4.64 2.14 1.73 -3.19 0.00 -1.26 -2.33 105.19 106.93 1qyn n GLY 69 Ca -0.20 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 1qyn n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qyn n GLU 70 N 13.19 2.86 -4.14 1.61 4.07 -1.26 -4.97 120.64 132.01 1qyn n GLU 70 Ca 0.00 -3.07 -0.10 0.00 -0.06 0.00 0.00 57.16 53.94 1qyn n GLU 70 Cb 0.00 -2.08 -0.10 0.00 -0.06 0.00 0.00 31.44 29.20 1qyn n GLU 70 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1qyn s GLU 71 N -3.11 0.75 0.18 5.31 -1.05 -0.98 -5.13 118.70 114.66 1qyn s GLU 71 Ca 0.52 -1.25 -0.30 0.00 -0.15 0.00 0.00 54.97 53.79 1qyn s GLU 71 Cb 0.43 -0.11 -0.09 0.00 -0.44 0.00 0.00 34.13 33.92 1qyn s GLU 71 CO 0.09 -0.03 1.34 0.99 0.95 0.00 0.00 175.26 178.60 1qyn s THR 72 N -3.46 3.19 -0.20 1.83 2.01 -1.26 -0.85 115.64 116.90 1qyn s THR 72 Ca 0.08 0.95 -0.16 0.00 0.31 0.00 0.00 61.69 62.87 1qyn s THR 72 Cb 0.04 -3.60 -0.11 0.00 0.01 0.00 0.00 72.50 68.83 1qyn s THR 72 CO -0.05 0.12 -0.08 0.00 -0.69 0.00 0.00 174.62 173.92 1qyn n ALA 73 N 2.98 0.78 -3.48 7.40 0.00 0.20 -4.55 120.51 123.83 1qyn n ALA 73 Ca 0.08 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 1qyn n ALA 73 Cb 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 1qyn n ALA 73 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1qyn s PHE 74 N -2.42 -0.42 -0.02 0.00 -0.12 -1.03 -4.59 117.98 109.38 1qyn s PHE 74 Ca -0.27 0.29 0.05 0.00 -0.05 0.00 0.00 56.93 56.95 1qyn s PHE 74 Cb 0.06 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1qyn s PHE 74 CO 0.44 -0.64 -0.17 -0.51 -0.05 0.00 0.00 175.22 174.30 1qyn s LEU 75 N -2.49 1.98 -0.04 -1.99 1.43 0.60 -1.55 118.68 116.62 1qyn s LEU 75 Ca 0.03 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1qyn s LEU 75 Cb -0.01 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.32 1qyn s LEU 75 CO -0.09 0.18 0.10 0.00 0.23 0.00 0.00 176.35 176.77 1qyn s GLU 77 N 0.16 0.45 -0.05 0.00 2.12 0.60 -0.54 118.70 121.45 1qyn s GLU 77 Ca -0.01 -0.13 -0.07 0.00 0.36 0.00 0.00 54.97 55.12 1qyn s GLU 77 Cb -0.02 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.58 1qyn s GLU 77 CO -0.00 -0.10 0.19 0.08 -0.54 0.00 0.00 175.26 174.88 1qyn s VAL 78 N -0.89 0.02 -0.26 3.70 1.01 -0.34 -0.82 120.40 122.82 1qyn s VAL 78 Ca -0.10 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1qyn s VAL 78 Cb -0.05 -0.33 0.07 0.00 0.00 0.00 0.00 36.38 36.06 1qyn s VAL 78 CO 0.02 -0.10 -0.06 -1.10 0.00 0.00 0.00 175.10 173.85 1qyn s GLN 79 N -0.32 1.88 -0.25 2.72 -0.21 -0.53 -0.22 119.66 122.73 1qyn s GLN 79 Ca -0.04 -1.28 -0.09 0.00 0.02 0.00 0.00 55.36 53.97 1qyn s GLN 79 Cb -0.03 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.14 1qyn s GLN 79 CO 0.01 -0.64 0.13 -1.14 -2.12 0.00 0.00 175.29 171.53 1qyn s GLN 80 N 1.20 3.87 0.35 2.91 2.00 0.88 -1.30 119.66 129.57 1qyn s GLN 80 Ca -0.05 -0.37 0.08 0.00 -2.00 0.00 0.00 55.36 53.03 1qyn s GLN 80 Cb -0.19 -3.47 -0.04 0.00 0.80 0.00 0.00 33.01 30.10 1qyn s GLN 80 CO -0.06 -0.09 0.13 0.20 -0.50 0.00 0.00 175.29 174.97 1qyn s GLY 81 N 1.42 2.00 -0.07 2.59 0.00 0.12 -0.22 107.32 113.15 1qyn s GLY 81 Ca 0.06 -1.87 -0.23 0.00 0.00 0.00 0.00 44.72 42.68 1qyn s GLY 81 CO 0.06 -1.79 0.53 -0.32 0.00 0.00 0.00 173.10 171.58 1qyn s GLY 82 N -3.83 -0.40 -0.18 0.20 0.00 -0.31 -0.88 107.32 101.92 1qyn s GLY 82 Ca 0.38 1.03 -0.04 0.00 0.00 0.00 0.00 44.72 46.08 1qyn s GLY 82 CO 0.22 0.75 -0.02 -0.42 0.00 0.00 0.00 173.10 173.64 1qyn s ILE 83 N -0.93 3.95 0.15 0.90 1.01 -0.14 -1.33 121.20 124.81 1qyn s ILE 83 Ca -0.10 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.29 1qyn s ILE 83 Cb -0.03 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1qyn s ILE 83 CO 0.06 0.46 -0.14 -0.36 0.00 0.00 0.00 174.94 174.96 1qyn s PHE 84 N 0.68 1.50 -0.30 3.97 0.40 0.63 -0.36 117.98 124.51 1qyn s PHE 84 Ca -0.01 -0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 55.70 1qyn s PHE 84 Cb -0.14 -0.76 0.03 0.00 0.51 0.00 0.00 43.02 42.66 1qyn s PHE 84 CO 0.02 0.21 0.04 -1.12 0.70 0.00 0.00 175.22 175.07 1qyn s SER 85 N -2.77 4.97 -0.13 1.36 0.01 -0.43 -0.14 113.70 116.57 1qyn s SER 85 Ca 0.14 -1.01 0.02 0.00 1.31 0.00 0.00 55.95 56.41 1qyn s SER 85 Cb -0.03 -1.80 0.01 0.00 0.21 0.00 0.00 66.02 64.41 1qyn s SER 85 CO 0.04 -0.24 -0.21 -0.63 0.41 0.00 0.00 173.24 172.61 1qyn s ILE 86 N 1.38 2.18 0.04 1.44 -1.09 -0.48 -2.10 121.20 122.56 1qyn s ILE 86 Ca -0.01 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.48 1qyn s ILE 86 Cb -0.18 -1.87 -0.03 0.00 -1.58 0.00 0.00 42.46 38.80 1qyn s ILE 86 CO 0.00 0.55 -0.06 0.00 -1.23 0.00 0.00 174.94 174.20 1qyn s ALA 87 N 0.71 0.51 0.00 9.38 0.00 -0.72 -4.48 121.76 127.16 1qyn s ALA 87 Ca -0.09 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1qyn s ALA 87 Cb -0.16 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1qyn s ALA 87 CO 0.01 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1qyn n GLY 88 N 1.20 1.97 3.78 0.00 0.00 -1.26 -1.93 105.19 108.96 1qyn n GLY 88 Ca -0.21 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 1qyn n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qyn s ILE 89 N 0.00 3.41 -0.06 -0.61 -1.09 -1.26 -4.98 121.20 116.61 1qyn s ILE 89 Ca 0.00 0.88 -0.31 0.00 -2.23 0.00 0.00 60.65 58.99 1qyn s ILE 89 Cb 0.00 -3.36 0.12 0.00 -1.58 0.00 0.00 42.46 37.64 1qyn s ILE 89 CO 0.00 -0.19 1.17 -0.70 -1.23 0.00 0.00 174.94 174.00 1qyn s GLU 90 N -3.25 0.51 6.81 2.79 2.12 -1.26 -4.78 118.70 121.65 1qyn s GLU 90 Ca 0.70 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.79 1qyn s GLU 90 Cb -0.21 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.38 1qyn s GLU 90 CO 0.24 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1qyn n GLY 91 N -0.31 1.91 0.14 -1.50 0.00 -1.26 -3.36 105.19 100.80 1qyn n GLY 91 Ca -0.05 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 1qyn n GLY 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qyn h THR 92 N 0.00 0.85 -0.89 2.61 2.02 -1.99 -3.10 112.91 112.40 1qyn h THR 92 Ca 0.00 -2.49 0.09 0.00 0.77 0.00 0.00 66.41 64.78 1qyn h THR 92 Cb 0.00 2.66 -0.06 0.00 -1.74 0.00 0.00 68.15 69.01 1qyn h THR 92 CO 0.00 0.86 0.58 1.56 0.37 0.00 0.00 175.52 178.89 1qyn h GLN 93 N 0.09 0.90 -0.14 6.66 4.20 -1.97 -0.76 115.11 124.08 1qyn h GLN 93 Ca -0.36 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.21 1qyn h GLN 93 Cb 2.07 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 29.65 1qyn h GLN 93 CO 0.14 0.60 -0.25 0.52 -0.67 0.00 0.00 178.83 179.17 1qyn h MET 94 N 0.93 0.42 -0.67 1.46 2.86 -1.68 -1.74 114.93 116.52 1qyn h MET 94 Ca 0.41 -0.26 0.10 0.00 -2.06 0.00 0.00 59.70 57.88 1qyn h MET 94 Cb 0.34 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 1qyn h MET 94 CO -0.17 0.86 0.44 0.00 1.06 0.00 0.00 176.91 179.10 1qyn h ALA 95 N 0.56 1.93 0.00 6.32 0.00 -1.28 0.22 119.26 127.01 1qyn h ALA 95 Ca 0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1qyn h ALA 95 Cb 0.83 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1qyn h ALA 95 CO 0.06 -0.07 -0.86 1.25 0.00 0.00 0.00 179.25 179.62 1qyn h HIS 96 N 0.52 0.27 -0.32 0.00 6.17 -1.05 -0.96 115.15 119.79 1qyn h HIS 96 Ca 0.31 -0.15 -0.05 0.00 0.71 0.00 0.00 60.37 61.19 1qyn h HIS 96 Cb 0.52 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.40 1qyn h HIS 96 CO -0.00 0.96 -0.00 0.00 0.71 0.00 0.00 177.93 179.59 1qyn h LEU 98 N 0.36 0.00 0.00 0.00 3.38 -1.29 0.23 115.31 117.99 1qyn h LEU 98 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1qyn h LEU 98 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1qyn h LEU 98 CO 0.02 0.37 -1.60 0.61 0.09 0.00 0.00 178.44 177.93 1qyn n GLY 99 N 1.24 -1.07 1.36 0.83 0.00 -0.37 -4.49 105.19 102.69 1qyn n GLY 99 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1qyn n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qyn n ALA 100 N -2.06 2.86 -0.11 4.61 0.00 -0.10 -4.73 120.51 120.98 1qyn n ALA 100 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1qyn n ALA 100 Cb 0.51 0.21 -0.02 0.00 0.00 0.00 0.00 19.45 20.15 1qyn n ALA 100 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1qyn h TYR 101 N 0.00 0.54 -0.00 0.00 3.20 -1.10 -2.39 116.97 117.21 1qyn h TYR 101 Ca 0.00 -0.05 -0.24 0.00 3.14 0.00 0.00 58.73 61.58 1qyn h TYR 101 Cb 0.43 -0.16 0.02 0.00 1.54 0.00 0.00 36.73 38.56 1qyn h TYR 101 CO 0.00 0.52 -0.93 0.00 -1.64 0.00 0.00 178.16 176.11 1qyn h PRO 103 N 0.27 0.25 -0.05 0.00 0.11 -1.78 -1.14 132.00 129.65 1qyn h PRO 103 Ca -0.12 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.91 1qyn h PRO 103 Cb 1.60 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.65 1qyn h PRO 103 CO 0.18 0.27 -0.22 -0.97 -0.21 0.00 0.00 178.00 177.05 1qyn h ASN 104 N 0.25 0.09 0.24 -2.05 -0.73 -1.39 0.26 115.58 112.24 1qyn h ASN 104 Ca 0.06 -0.02 -0.20 0.00 1.87 0.00 0.00 56.30 58.01 1qyn h ASN 104 Cb 0.16 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 38.72 1qyn h ASN 104 CO 0.00 0.32 -0.82 0.40 -0.37 0.00 0.00 177.43 176.96 1qyn h ILE 105 N 0.08 1.38 0.00 2.57 2.04 -1.12 -3.29 117.51 119.17 1qyn h ILE 105 Ca 0.01 -2.24 -0.05 0.00 1.00 0.00 0.00 64.86 63.59 1qyn h ILE 105 Cb 0.44 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1qyn h ILE 105 CO 0.03 0.67 -0.54 -0.07 0.00 0.00 0.00 178.15 178.24 1qyn h LEU 106 N 0.29 0.00 -0.46 1.44 3.38 -0.45 -3.38 115.31 116.14 1qyn h LEU 106 Ca -0.05 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1qyn h LEU 106 Cb 1.42 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.09 1qyn h LEU 106 CO 0.14 0.21 -0.09 0.15 0.09 0.00 0.00 178.44 178.94 1qyn h PHE 107 N 0.00 -0.20 -0.87 1.13 3.57 -0.59 -2.02 116.94 117.95 1qyn h PHE 107 Ca -0.02 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.68 1qyn h PHE 107 Cb 1.18 0.16 -0.10 0.00 2.79 0.00 0.00 35.95 39.98 1qyn h PHE 107 CO 0.00 -0.18 0.44 -1.35 -2.23 0.00 0.00 178.31 174.99 1qyn h PRO 108 N 0.02 0.57 0.02 6.41 0.11 -1.78 0.21 132.00 137.56 1qyn h PRO 108 Ca 0.22 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1qyn h PRO 108 Cb 0.34 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1qyn h PRO 108 CO -0.45 0.38 -0.01 1.88 -0.21 0.00 0.00 178.00 179.59 1qyn h TYR 109 N 0.59 -0.02 -0.69 0.65 -1.99 -1.63 -1.03 116.97 112.84 1qyn h TYR 109 Ca 0.49 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.16 1qyn h TYR 109 Cb 0.74 0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.45 1qyn h TYR 109 CO -0.09 0.10 0.19 0.00 -0.00 0.00 0.00 178.16 178.35 1qyn h ALA 110 N 0.84 0.91 -0.32 3.88 0.00 -1.06 -0.47 119.26 123.04 1qyn h ALA 110 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1qyn h ALA 110 Cb 0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1qyn h ALA 110 CO 0.00 0.62 0.15 -0.09 0.00 0.00 0.00 179.25 179.93 1qyn h ARG 111 N 1.03 0.30 -0.25 0.00 2.43 -0.48 -0.75 114.38 116.67 1qyn h ARG 111 Ca 0.22 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1qyn h ARG 111 Cb 0.34 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1qyn h ARG 111 CO -0.00 0.20 -0.34 1.49 -1.51 0.00 0.00 179.97 179.80 1qyn h GLU 112 N 0.31 0.53 -0.48 0.20 4.22 -0.95 -0.72 114.58 117.69 1qyn h GLU 112 Ca 0.14 -0.24 -0.02 0.00 0.08 0.00 0.00 59.36 59.32 1qyn h GLU 112 Cb 0.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1qyn h GLU 112 CO -0.11 0.80 0.23 0.00 -2.18 0.00 0.00 179.01 177.75 1qyn h ILE 114 N 0.63 1.22 -0.74 0.00 2.04 -0.70 -0.80 117.51 119.16 1qyn h ILE 114 Ca 0.16 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1qyn h ILE 114 Cb 0.13 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1qyn h ILE 114 CO -0.02 0.25 0.46 0.74 0.00 0.00 0.00 178.15 179.59 1qyn h THR 115 N 0.43 1.09 -0.16 -0.27 2.02 -0.82 0.34 112.91 115.54 1qyn h THR 115 Ca 0.11 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1qyn h THR 115 Cb 0.29 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1qyn h THR 115 CO -0.00 0.16 0.06 -1.28 0.37 0.00 0.00 175.52 174.84 1qyn h SER 116 N 0.90 0.22 -0.23 4.18 0.87 -0.15 -0.62 113.55 118.71 1qyn h SER 116 Ca 0.30 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1qyn h SER 116 Cb 0.04 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1qyn h SER 116 CO -0.12 0.32 0.12 0.24 -0.53 0.00 0.00 176.83 176.86 1qyn h MET 117 N 0.10 0.25 -0.97 2.24 2.07 -0.80 0.60 114.93 118.42 1qyn h MET 117 Ca 0.05 -0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.72 1qyn h MET 117 Cb 0.17 -0.06 -0.06 0.00 -1.87 0.00 0.00 31.60 29.78 1qyn h MET 117 CO -0.00 0.17 0.63 0.28 1.07 0.00 0.00 176.91 179.06 1qyn h VAL 118 N 0.26 1.13 -0.47 -2.22 2.07 -0.82 -1.92 116.25 114.28 1qyn h VAL 118 Ca 0.09 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 1qyn h VAL 118 Cb 0.01 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.60 1qyn h VAL 118 CO -0.05 0.22 -0.09 -1.28 0.02 0.00 0.00 177.57 176.38 1qyn h SER 119 N 1.18 0.90 -0.64 0.57 0.87 -0.32 -2.54 113.55 113.57 1qyn h SER 119 Ca 0.40 -0.35 0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1qyn h SER 119 Cb 0.09 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1qyn h SER 119 CO -0.14 1.04 0.42 0.03 -0.53 0.00 0.00 176.83 177.65 1qyn h ARG 120 N 0.75 0.76 0.00 2.24 3.08 -0.23 -1.55 114.38 119.42 1qyn h ARG 120 Ca 0.12 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1qyn h ARG 120 Cb 0.63 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1qyn h ARG 120 CO 0.04 0.50 0.00 0.41 -1.07 0.00 0.00 179.97 179.86 1qyn n GLY 121 N -1.45 -0.98 2.53 0.04 0.00 -0.79 -4.89 105.19 99.66 1qyn n GLY 121 Ca 0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1qyn n GLY 121 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qyn n THR 122 N -1.16 -1.28 -3.22 2.61 -2.24 -0.58 -5.05 114.28 103.36 1qyn n THR 122 Ca 0.15 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.74 1qyn n THR 122 Cb 0.15 -2.57 0.00 0.00 -2.10 0.00 0.00 70.33 65.82 1qyn n THR 122 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1qyn s PHE 123 N -2.95 3.04 0.59 4.78 0.40 -0.98 -5.06 117.98 117.80 1qyn s PHE 123 Ca 0.20 -0.18 -0.20 0.00 -0.60 0.00 0.00 56.93 56.15 1qyn s PHE 123 Cb -0.09 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.21 1qyn s PHE 123 CO 0.25 -0.23 1.33 -2.30 0.70 0.00 0.00 175.22 174.97 1qyn n PRO 124 N -1.81 1.43 -1.51 0.24 -0.02 -1.26 -4.62 135.00 127.45 1qyn n PRO 124 Ca 0.03 0.54 -0.49 0.00 -2.02 0.00 0.00 63.50 61.55 1qyn n PRO 124 Cb 0.58 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 1qyn n PRO 124 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1qyn n GLN 125 N -1.43 0.61 -3.75 -0.52 -0.06 -1.26 -4.89 117.38 106.08 1qyn n GLN 125 Ca 0.13 0.22 -0.29 0.00 -2.00 0.00 0.00 57.00 55.06 1qyn n GLN 125 Cb 0.46 -1.51 -0.16 0.00 -4.06 0.00 0.00 30.24 24.97 1qyn n GLN 125 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1qyn s LEU 126 N 1.35 1.59 -0.26 1.69 2.96 -1.26 -5.09 118.68 119.65 1qyn s LEU 126 Ca 0.70 -1.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1qyn s LEU 126 Cb -0.91 -0.72 0.03 0.00 0.50 0.00 0.00 46.19 45.08 1qyn s LEU 126 CO 0.56 -0.33 -0.03 0.20 -1.32 0.00 0.00 176.35 175.42 1qyn s ASN 127 N 1.75 4.53 0.12 3.68 0.01 -1.26 -4.40 114.94 119.37 1qyn s ASN 127 Ca 0.02 -0.95 -0.31 0.00 -0.71 0.00 0.00 52.86 50.91 1qyn s ASN 127 Cb -0.17 -1.70 -0.09 0.00 0.41 0.00 0.00 41.25 39.70 1qyn s ASN 127 CO -0.13 -0.16 1.47 -0.76 -1.51 0.00 0.00 177.10 176.00 1qyn s LEU 128 N 1.33 4.37 0.53 0.60 1.43 -1.26 -4.96 118.68 120.71 1qyn s LEU 128 Ca -0.01 2.43 -0.21 0.00 -1.03 0.00 0.00 54.13 55.31 1qyn s LEU 128 Cb -0.17 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 1qyn s LEU 128 CO -0.03 -0.73 1.23 0.00 0.23 0.00 0.00 176.35 177.05 1qyn s ALA 129 N 1.25 2.77 0.39 4.21 0.00 -1.26 -4.94 121.76 124.19 1qyn s ALA 129 Ca 0.67 1.06 -0.26 0.00 0.00 0.00 0.00 51.96 53.43 1qyn s ALA 129 Cb -0.39 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.16 1qyn s ALA 129 CO 0.30 -1.02 1.14 -2.30 0.00 0.00 0.00 175.76 173.88 1qyn n PRO 130 N -1.04 1.66 -4.68 0.00 -0.02 -1.26 -4.99 135.00 124.66 1qyn n PRO 130 Ca 0.10 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.84 1qyn n PRO 130 Cb 0.48 -2.17 -0.13 0.00 -0.02 0.00 0.00 33.50 31.66 1qyn n PRO 130 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qyn s VAL 131 N -1.19 3.37 -0.80 -1.45 1.01 -1.26 -5.06 120.40 115.02 1qyn s VAL 131 Ca 0.61 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 1qyn s VAL 131 Cb -0.56 -2.41 0.12 0.00 0.00 0.00 0.00 36.38 33.53 1qyn s VAL 131 CO 0.58 0.54 0.99 0.21 0.00 0.00 0.00 175.10 177.42 1qyn s ASN 132 N -0.05 6.45 0.45 3.32 3.84 -1.26 -4.87 114.94 122.82 1qyn s ASN 132 Ca -0.01 -1.72 0.22 0.00 0.21 0.00 0.00 52.86 51.56 1qyn s ASN 132 Cb -0.14 -2.37 1.04 0.00 -0.55 0.00 0.00 41.25 39.23 1qyn s ASN 132 CO 0.03 -1.13 1.90 -0.26 -2.79 0.00 0.00 177.10 174.85 1qyn h PHE 133 N 9.01 0.00 -0.55 0.43 -1.00 -1.96 -2.16 116.94 120.70 1qyn h PHE 133 Ca -0.04 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.69 1qyn h PHE 133 Cb 1.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.59 1qyn h PHE 133 CO 1.05 0.24 0.15 -0.44 -1.61 0.00 0.00 178.31 177.69 1qyn h ASP 134 N 0.00 0.83 -0.42 2.17 3.32 -1.89 0.53 116.42 120.96 1qyn h ASP 134 Ca -0.00 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 1qyn h ASP 134 Cb 0.61 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1qyn h ASP 134 CO 0.03 0.84 -0.11 0.00 -1.72 0.00 0.00 179.24 178.28 1qyn h ALA 135 N 1.02 0.57 -0.33 3.45 0.00 -1.90 -2.20 119.26 119.87 1qyn h ALA 135 Ca 0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1qyn h ALA 135 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1qyn h ALA 135 CO -0.00 0.46 0.04 -0.07 0.00 0.00 0.00 179.25 179.68 1qyn h LEU 136 N 0.63 0.46 -0.52 0.00 3.38 -1.13 -2.31 115.31 115.81 1qyn h LEU 136 Ca 0.10 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1qyn h LEU 136 Cb 0.64 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1qyn h LEU 136 CO 0.04 0.50 -0.56 0.15 0.09 0.00 0.00 178.44 178.66 1qyn h PHE 137 N 0.48 0.67 0.00 1.13 3.57 -0.70 -2.69 116.94 119.40 1qyn h PHE 137 Ca 0.11 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1qyn h PHE 137 Cb 0.25 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1qyn h PHE 137 CO 0.01 0.97 0.00 0.52 -2.23 0.00 0.00 178.31 177.57 1qyn h MET 138 N 0.40 0.00 0.00 1.11 2.86 -0.82 -1.46 114.93 117.02 1qyn h MET 138 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1qyn h MET 138 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1qyn h MET 138 CO 0.10 0.00 -1.46 0.09 1.06 0.00 0.00 176.91 176.70 1qyn n ASN 139 N -2.37 0.42 0.19 1.22 5.03 -1.04 -3.95 115.26 114.76 1qyn n ASN 139 Ca 0.00 -0.06 0.06 0.00 0.87 0.00 0.00 54.58 55.45 1qyn n ASN 139 Cb 0.15 1.29 0.35 0.00 -1.02 0.00 0.00 39.78 40.55 1qyn n ASN 139 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1qyn h TYR 140 N 0.00 0.00 -0.03 3.10 3.20 -1.03 -3.52 116.97 118.70 1qyn h TYR 140 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1qyn h TYR 140 Cb 0.89 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1qyn h TYR 140 CO 0.00 0.36 0.00 1.28 -1.64 0.00 0.00 178.16 178.16