#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qa9 s SER 2 N 0.00 2.67 -0.08 6.43 0.15 -1.25 0.12 113.70 121.73 1qa9 s SER 2 Ca 0.00 -0.54 -0.10 0.00 0.70 0.00 0.00 55.95 56.01 1qa9 s SER 2 Cb 0.00 -0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 1qa9 s SER 2 CO 0.00 0.19 0.25 -1.58 1.20 0.00 0.00 173.24 173.30 1qa9 s GLN 3 N -1.20 0.37 -0.26 5.44 0.74 -0.68 -4.99 119.66 119.09 1qa9 s GLN 3 Ca 0.09 0.21 -0.11 0.00 0.05 0.00 0.00 55.36 55.60 1qa9 s GLN 3 Cb -0.09 0.17 -0.05 0.00 1.10 0.00 0.00 33.01 34.14 1qa9 s GLN 3 CO 0.02 -0.06 0.17 -0.65 -0.55 0.00 0.00 175.29 174.22 1qa9 s GLN 4 N -0.20 4.01 -0.18 1.67 -0.21 -1.26 -0.69 119.66 122.79 1qa9 s GLN 4 Ca -0.03 -0.30 -0.02 0.00 0.02 0.00 0.00 55.36 55.03 1qa9 s GLN 4 Cb -0.03 -3.58 -0.01 0.00 1.00 0.00 0.00 33.01 30.39 1qa9 s GLN 4 CO 0.01 -0.05 -0.08 0.42 -2.12 0.00 0.00 175.29 173.48 1qa9 s ILE 5 N 1.37 3.28 -0.31 1.08 -1.09 -0.37 -4.95 121.20 120.21 1qa9 s ILE 5 Ca 0.07 -0.55 -0.09 0.00 -2.23 0.00 0.00 60.65 57.85 1qa9 s ILE 5 Cb -0.15 -2.45 -0.01 0.00 -1.58 0.00 0.00 42.46 38.28 1qa9 s ILE 5 CO 0.07 0.47 0.14 -0.31 -1.23 0.00 0.00 174.94 174.08 1qa9 s TYR 6 N 0.99 3.17 0.00 3.97 1.51 -1.26 -0.21 117.35 125.52 1qa9 s TYR 6 Ca -0.01 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1qa9 s TYR 6 Cb -0.15 -2.34 0.00 0.00 -0.11 0.00 0.00 41.96 39.36 1qa9 s TYR 6 CO -0.00 -0.46 0.00 0.41 -1.11 0.00 0.00 175.55 174.38 1qa9 n GLY 7 N 4.97 4.51 3.00 0.71 0.00 -0.98 -4.89 105.19 112.50 1qa9 n GLY 7 Ca -0.14 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 1qa9 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qa9 s VAL 8 N -0.39 -0.03 0.45 1.61 -7.23 -1.25 0.61 120.40 114.17 1qa9 s VAL 8 Ca 0.00 0.12 -0.20 0.00 -1.81 0.00 0.00 61.98 60.08 1qa9 s VAL 8 Cb 0.00 -0.28 -0.14 0.00 0.56 0.00 0.00 36.38 36.53 1qa9 s VAL 8 CO 0.00 0.05 0.25 1.17 -0.31 0.00 0.00 175.10 176.26 1qa9 n LYS 9 N 3.85 0.24 0.00 4.82 4.81 -0.36 -0.22 118.16 131.30 1qa9 n LYS 9 Ca -0.22 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1qa9 n LYS 9 Cb 0.54 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.34 1qa9 n LYS 9 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1qa9 n TYR 10 N -1.16 0.00 -0.52 5.64 0.53 -0.54 -4.85 117.16 116.25 1qa9 n TYR 10 Ca 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.99 1qa9 n TYR 10 Cb 0.42 -0.48 0.00 0.00 -1.03 0.00 0.00 39.34 38.26 1qa9 n TYR 10 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1qa9 n GLY 11 N -1.73 1.05 3.42 2.72 0.00 0.70 -4.46 105.19 106.88 1qa9 n GLY 11 Ca 0.00 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 1qa9 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qa9 s ASN 12 N -1.00 -0.49 0.47 1.61 2.20 -1.26 -0.76 114.94 115.72 1qa9 s ASN 12 Ca 0.00 0.44 0.02 0.00 -0.94 0.00 0.00 52.86 52.38 1qa9 s ASN 12 Cb 0.00 0.47 -0.02 0.00 -2.00 0.00 0.00 41.25 39.70 1qa9 s ASN 12 CO 0.00 -0.59 0.05 -0.69 -2.94 0.00 0.00 177.10 172.93 1qa9 s VAL 13 N -1.47 1.00 -0.18 3.54 1.01 -1.02 -4.90 120.40 118.38 1qa9 s VAL 13 Ca -0.11 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 59.80 1qa9 s VAL 13 Cb -0.02 -2.26 0.08 0.00 0.00 0.00 0.00 36.38 34.18 1qa9 s VAL 13 CO 0.06 0.00 0.38 -0.89 0.00 0.00 0.00 175.10 174.66 1qa9 s THR 14 N -2.99 -0.46 -0.63 3.92 2.01 -1.26 -1.87 115.64 114.36 1qa9 s THR 14 Ca 0.13 0.17 -0.22 0.00 0.31 0.00 0.00 61.69 62.08 1qa9 s THR 14 Cb 0.02 -0.61 0.07 0.00 0.01 0.00 0.00 72.50 72.00 1qa9 s THR 14 CO 0.07 0.07 0.92 -0.36 -0.69 0.00 0.00 174.62 174.64 1qa9 s PHE 15 N 2.28 2.73 0.01 4.92 0.08 0.19 -4.98 117.98 123.21 1qa9 s PHE 15 Ca -0.03 -0.53 -0.30 0.00 0.12 0.00 0.00 56.93 56.19 1qa9 s PHE 15 Cb -0.11 -4.21 -0.06 0.00 -0.57 0.00 0.00 43.02 38.07 1qa9 s PHE 15 CO -0.12 -1.56 1.43 -1.01 -0.10 0.00 0.00 175.22 173.86 1qa9 s HIS 16 N 3.86 2.82 -0.17 0.36 3.76 -1.26 -2.72 115.29 121.95 1qa9 s HIS 16 Ca 0.22 0.77 0.01 0.00 -0.15 0.00 0.00 55.06 55.91 1qa9 s HIS 16 Cb -0.17 -3.69 0.01 0.00 1.11 0.00 0.00 32.58 29.83 1qa9 s HIS 16 CO 0.11 -2.59 -0.17 0.08 -0.85 0.00 0.00 174.74 171.32 1qa9 s VAL 17 N 2.38 2.40 -0.84 -0.90 1.01 -1.26 -5.02 120.40 118.16 1qa9 s VAL 17 Ca 0.65 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 1qa9 s VAL 17 Cb -0.32 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1qa9 s VAL 17 CO 0.27 0.52 1.81 -2.16 0.00 0.00 0.00 175.10 175.54 1qa9 s PRO 18 N 1.04 2.77 -0.07 2.72 0.04 -1.26 -4.69 135.00 135.55 1qa9 s PRO 18 Ca -0.01 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.83 1qa9 s PRO 18 Cb -0.15 -4.89 -0.03 0.00 0.04 0.00 0.00 34.50 29.47 1qa9 s PRO 18 CO -0.05 -2.96 -0.05 0.45 0.04 0.00 0.00 177.00 174.43 1qa9 s SER 19 N 7.30 4.80 -0.00 6.66 0.15 -1.26 -4.97 113.70 126.38 1qa9 s SER 19 Ca 0.63 0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1qa9 s SER 19 Cb -0.07 -1.26 -0.00 0.00 -1.71 0.00 0.00 66.02 62.97 1qa9 s SER 19 CO 0.04 0.36 -0.00 0.59 1.20 0.00 0.00 173.24 175.43 1qa9 n ASN 20 N 2.24 4.28 -4.42 5.45 3.02 -1.26 -4.86 115.26 119.72 1qa9 n ASN 20 Ca -0.18 -0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.03 1qa9 n ASN 20 Cb 0.53 0.17 -0.13 0.00 -0.61 0.00 0.00 39.78 39.74 1qa9 n ASN 20 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1qa9 s GLN 21 N -2.01 3.53 -0.74 3.52 0.74 -1.26 -5.04 119.66 118.40 1qa9 s GLN 21 Ca -0.00 -0.58 -0.24 0.00 0.05 0.00 0.00 55.36 54.59 1qa9 s GLN 21 Cb 0.00 -2.93 -0.15 0.00 1.10 0.00 0.00 33.01 31.04 1qa9 s GLN 21 CO 0.01 0.07 2.40 -0.35 -0.55 0.00 0.00 175.29 176.88 1qa9 n PRO 22 N 4.02 0.60 -1.68 1.67 -0.04 -1.26 -4.85 135.00 133.45 1qa9 n PRO 22 Ca -0.18 -0.49 -0.50 0.00 -0.04 0.00 0.00 63.50 62.30 1qa9 n PRO 22 Cb 0.52 -3.22 -0.05 0.00 -0.04 0.00 0.00 33.50 30.71 1qa9 n PRO 22 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1qa9 n LEU 23 N 16.12 3.16 -0.55 1.53 4.77 -1.25 -4.81 117.00 135.96 1qa9 n LEU 23 Ca 0.48 1.01 0.03 0.00 -0.03 0.00 0.00 56.01 57.50 1qa9 n LEU 23 Cb 0.41 -1.33 0.11 0.00 -2.33 0.00 0.00 43.42 40.27 1qa9 n LEU 23 CO 0.67 -0.19 0.56 0.29 -1.33 0.00 0.00 177.39 177.39 1qa9 n LYS 24 N 5.81 1.71 -3.60 3.23 5.02 -1.26 -4.76 118.16 124.31 1qa9 n LYS 24 Ca 0.22 -0.88 -0.01 0.00 -2.02 0.00 0.00 58.31 55.62 1qa9 n LYS 24 Cb 0.26 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 1qa9 n LYS 24 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1qa9 s GLU 25 N -1.66 0.34 -0.03 1.97 2.12 -1.25 -3.71 118.70 116.49 1qa9 s GLU 25 Ca 0.16 0.64 -0.11 0.00 0.36 0.00 0.00 54.97 56.02 1qa9 s GLU 25 Cb 0.09 0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.64 1qa9 s GLU 25 CO 0.09 -0.08 0.23 0.08 -0.54 0.00 0.00 175.26 175.05 1qa9 s VAL 26 N 1.53 0.05 -0.04 3.70 1.01 -1.11 -4.38 120.40 121.16 1qa9 s VAL 26 Ca -0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1qa9 s VAL 26 Cb -0.04 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1qa9 s VAL 26 CO -0.15 -0.24 0.04 -0.22 0.00 0.00 0.00 175.10 174.52 1qa9 s LEU 27 N -0.99 0.56 -0.09 3.92 2.96 -0.97 -2.44 118.68 121.63 1qa9 s LEU 27 Ca -0.11 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1qa9 s LEU 27 Cb -0.05 -0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.42 1qa9 s LEU 27 CO 0.02 -0.19 0.09 0.26 -1.32 0.00 0.00 176.35 175.21 1qa9 s TRP 28 N 1.73 3.41 0.00 5.38 0.52 -0.02 -1.09 118.94 128.87 1qa9 s TRP 28 Ca -0.00 0.37 0.05 0.00 0.02 0.00 0.00 56.10 56.53 1qa9 s TRP 28 Cb -0.12 -1.86 -0.01 0.00 -1.15 0.00 0.00 33.47 30.32 1qa9 s TRP 28 CO -0.03 0.62 -0.14 0.15 0.02 0.00 0.00 176.95 177.57 1qa9 s LYS 29 N -1.12 1.10 -0.58 4.98 1.02 0.22 -1.49 119.74 123.87 1qa9 s LYS 29 Ca 0.16 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1qa9 s LYS 29 Cb -0.12 -1.09 0.44 0.00 -0.52 0.00 0.00 37.83 36.55 1qa9 s LYS 29 CO 0.05 0.29 1.78 1.17 -0.92 0.00 0.00 175.35 177.72 1qa9 n LYS 30 N 2.49 2.97 -1.01 1.68 4.81 0.03 -0.71 118.16 128.41 1qa9 n LYS 30 Ca -0.15 -3.59 0.00 0.00 -0.87 0.00 0.00 58.31 53.69 1qa9 n LYS 30 Cb 0.55 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1qa9 n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qa9 n GLN 31 N -0.81 0.00 0.00 1.64 10.64 -1.04 -4.53 117.38 123.28 1qa9 n GLN 31 Ca 0.56 0.47 0.00 0.00 -1.83 0.00 0.00 57.00 56.20 1qa9 n GLN 31 Cb 0.70 -0.55 0.00 0.00 -0.86 0.00 0.00 30.24 29.53 1qa9 n GLN 31 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1qa9 n LYS 32 N 0.18 0.00 -4.33 2.61 4.76 -1.26 -4.84 118.16 115.29 1qa9 n LYS 32 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1qa9 n LYS 32 Cb 0.00 -3.01 -0.11 0.00 -1.84 0.00 0.00 35.03 30.08 1qa9 n LYS 32 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1qa9 s ASP 33 N -0.68 4.21 0.85 4.39 1.01 -1.26 -5.13 116.67 120.05 1qa9 s ASP 33 Ca 0.00 -0.41 -0.12 0.00 0.71 0.00 0.00 52.55 52.73 1qa9 s ASP 33 Cb 0.00 -0.75 0.10 0.00 1.01 0.00 0.00 42.92 43.27 1qa9 s ASP 33 CO 0.00 0.20 1.10 -0.54 0.21 0.00 0.00 175.17 176.14 1qa9 s LYS 34 N -2.02 1.68 0.06 8.23 1.02 -1.26 -0.79 119.74 126.66 1qa9 s LYS 34 Ca 0.19 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.83 1qa9 s LYS 34 Cb -0.11 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1qa9 s LYS 34 CO 0.11 -1.90 0.00 0.28 -0.92 0.00 0.00 175.35 172.92 1qa9 n VAL 35 N -3.63 0.07 -4.06 3.17 0.31 -0.56 -4.51 118.33 109.13 1qa9 n VAL 35 Ca 0.07 0.02 -0.10 0.00 -0.01 0.00 0.00 64.34 64.32 1qa9 n VAL 35 Cb 0.56 -0.36 -0.11 0.00 -0.91 0.00 0.00 33.84 33.02 1qa9 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qa9 s ALA 36 N -2.00 0.49 0.00 3.52 0.00 -1.23 -0.51 121.76 122.02 1qa9 s ALA 36 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1qa9 s ALA 36 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1qa9 s ALA 36 CO 0.00 -0.16 0.00 0.39 0.00 0.00 0.00 175.76 175.99 1qa9 n GLU 37 N 1.01 3.84 0.00 0.00 1.02 -0.77 -0.84 120.64 124.90 1qa9 n GLU 37 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1qa9 n GLU 37 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1qa9 n GLU 37 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1qa9 n LEU 38 N 0.00 0.00 -4.65 -4.62 7.94 -1.02 -4.48 117.00 110.17 1qa9 n LEU 38 Ca 0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.54 1qa9 n LEU 38 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1qa9 n LEU 38 CO 0.00 0.00 -0.20 -0.70 -1.11 0.00 0.00 177.39 175.38 1qa9 s GLU 39 N 0.00 4.03 -1.12 1.96 2.12 -1.23 -2.77 118.70 121.69 1qa9 s GLU 39 Ca 0.00 -0.30 -0.14 0.00 0.36 0.00 0.00 54.97 54.89 1qa9 s GLU 39 Cb 0.00 -3.43 0.14 0.00 0.26 0.00 0.00 34.13 31.10 1qa9 s GLU 39 CO 0.00 0.12 0.36 0.27 -0.54 0.00 0.00 175.26 175.46 1qa9 n ASN 40 N 4.08 -1.27 -0.73 -1.70 0.23 -1.24 0.14 115.26 114.77 1qa9 n ASN 40 Ca -0.16 -0.65 -0.00 0.00 -0.53 0.00 0.00 54.58 53.24 1qa9 n ASN 40 Cb 0.52 -1.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.09 1qa9 n ASN 40 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1qa9 n SER 41 N -1.59 -2.06 -3.69 0.53 2.88 -1.26 -5.04 113.62 103.38 1qa9 n SER 41 Ca 0.07 -0.01 -0.28 0.00 -1.33 0.00 0.00 58.87 57.32 1qa9 n SER 41 Cb 0.36 -0.59 -0.12 0.00 -0.75 0.00 0.00 64.21 63.11 1qa9 n SER 41 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1qa9 s GLU 42 N -4.69 1.63 0.39 -1.46 2.12 0.37 -5.11 118.70 111.96 1qa9 s GLU 42 Ca 0.01 -2.55 -0.27 0.00 0.36 0.00 0.00 54.97 52.51 1qa9 s GLU 42 Cb -0.00 -2.49 -0.10 0.00 0.26 0.00 0.00 34.13 31.80 1qa9 s GLU 42 CO 0.01 -1.27 1.44 0.12 -0.54 0.00 0.00 175.26 175.02 1qa9 s PHE 43 N -0.43 2.62 -0.28 5.30 5.99 -1.26 -3.46 117.98 126.46 1qa9 s PHE 43 Ca 0.25 1.24 -0.02 0.00 0.00 0.00 0.00 56.93 58.39 1qa9 s PHE 43 Cb -0.08 -3.93 0.17 0.00 0.00 0.00 0.00 43.02 39.17 1qa9 s PHE 43 CO -0.12 -2.79 0.54 0.50 -0.00 0.00 0.00 175.22 173.35 1qa9 s ARG 44 N -2.17 0.50 0.39 10.12 3.52 -1.26 -4.96 118.95 125.10 1qa9 s ARG 44 Ca 0.55 0.92 -0.04 0.00 -0.13 0.00 0.00 55.73 57.03 1qa9 s ARG 44 Cb -0.44 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.20 1qa9 s ARG 44 CO 0.59 -0.57 0.66 0.00 -0.81 0.00 0.00 175.30 175.17 1qa9 s ALA 45 N 2.77 3.53 0.13 6.12 0.00 -1.26 -1.84 121.76 131.21 1qa9 s ALA 45 Ca 0.16 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.57 1qa9 s ALA 45 Cb -0.15 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1qa9 s ALA 45 CO -0.19 -0.09 -0.14 -0.06 0.00 0.00 0.00 175.76 175.28 1qa9 s PHE 46 N -2.43 1.42 0.00 0.00 0.40 0.33 -4.78 117.98 112.92 1qa9 s PHE 46 Ca 0.45 -0.57 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1qa9 s PHE 46 Cb -0.10 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.69 1qa9 s PHE 46 CO 0.38 0.16 0.00 0.43 0.70 0.00 0.00 175.22 176.88 1qa9 n SER 47 N 0.41 0.00 -0.11 1.36 7.64 -1.26 -1.53 113.62 120.13 1qa9 n SER 47 Ca -0.14 0.00 0.27 0.00 1.01 0.00 0.00 58.87 60.00 1qa9 n SER 47 Cb 0.57 0.00 0.71 0.00 -1.01 0.00 0.00 64.21 64.48 1qa9 n SER 47 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1qa9 h SER 48 N 3.03 0.00 0.00 6.43 0.87 -1.98 -1.93 113.55 119.98 1qa9 h SER 48 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1qa9 h SER 48 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1qa9 h SER 48 CO 0.00 0.00 0.00 0.49 -0.53 0.00 0.00 176.83 176.79 1qa9 n PHE 49 N -3.91 0.00 -2.00 2.24 3.01 -0.58 -4.69 117.46 111.52 1qa9 n PHE 49 Ca 0.16 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.21 1qa9 n PHE 49 Cb 0.96 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.41 1qa9 n PHE 49 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1qa9 s LYS 50 N -2.00 4.27 0.00 -1.08 1.02 -0.73 -1.86 119.74 119.35 1qa9 s LYS 50 Ca 0.26 2.34 0.00 0.00 0.02 0.00 0.00 55.97 58.59 1qa9 s LYS 50 Cb 0.12 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1qa9 s LYS 50 CO 0.20 -0.33 0.00 0.09 -0.92 0.00 0.00 175.35 174.39 1qa9 n ASN 51 N 0.86 0.00 0.13 2.83 4.13 -1.26 -4.70 115.26 117.25 1qa9 n ASN 51 Ca 0.01 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.39 1qa9 n ASN 51 Cb 0.41 -1.44 0.04 0.00 -1.54 0.00 0.00 39.78 37.25 1qa9 n ASN 51 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1qa9 h ARG 52 N 0.27 0.00 -5.38 3.52 3.08 -1.65 -3.48 114.38 110.74 1qa9 h ARG 52 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1qa9 h ARG 52 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.92 1qa9 h ARG 52 CO 0.00 0.00 -0.59 0.14 -1.07 0.00 0.00 179.97 178.45 1qa9 s VAL 53 N -3.32 1.46 -0.06 2.04 -7.23 -1.19 0.17 120.40 112.26 1qa9 s VAL 53 Ca 0.01 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1qa9 s VAL 53 Cb 0.09 -2.79 0.03 0.00 0.56 0.00 0.00 36.38 34.27 1qa9 s VAL 53 CO 0.76 0.00 0.13 -0.47 -0.31 0.00 0.00 175.10 175.21 1qa9 s TYR 54 N -3.03 -0.14 -0.14 2.82 5.04 -0.51 -4.98 117.35 116.41 1qa9 s TYR 54 Ca 0.32 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 1qa9 s TYR 54 Cb 0.08 -0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.33 1qa9 s TYR 54 CO 0.15 -0.13 -0.15 -1.17 -1.34 0.00 0.00 175.55 172.92 1qa9 s LEU 55 N 0.84 2.56 -0.42 6.97 2.96 -1.26 -1.26 118.68 129.07 1qa9 s LEU 55 Ca -0.06 -0.41 -0.28 0.00 -0.22 0.00 0.00 54.13 53.16 1qa9 s LEU 55 Cb -0.08 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1qa9 s LEU 55 CO -0.04 0.12 1.90 -0.62 -1.32 0.00 0.00 176.35 176.39 1qa9 s ASP 56 N 0.60 5.54 0.00 3.68 -1.08 -0.29 -4.81 116.67 120.31 1qa9 s ASP 56 Ca -0.08 1.04 0.00 0.00 -0.52 0.00 0.00 52.55 52.98 1qa9 s ASP 56 Cb -0.16 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1qa9 s ASP 56 CO 0.03 -2.04 0.47 0.35 0.52 0.00 0.00 175.17 174.51 1qa9 n THR 57 N 7.44 0.47 0.00 1.71 -2.24 -1.26 -0.63 114.28 119.77 1qa9 n THR 57 Ca 0.24 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1qa9 n THR 57 Cb 0.49 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1qa9 n THR 57 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1qa9 n LYS 58 N 1.14 0.00 0.00 -0.78 4.81 -1.26 -4.88 118.16 117.18 1qa9 n LYS 58 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1qa9 n LYS 58 Cb 0.18 0.00 0.51 0.00 0.02 0.00 0.00 35.03 35.74 1qa9 n LYS 58 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1qa9 n SER 59 N -1.90 0.00 -0.66 3.14 7.64 -1.22 -3.86 113.62 116.76 1qa9 n SER 59 Ca 0.00 -0.39 -0.07 0.00 1.01 0.00 0.00 58.87 59.42 1qa9 n SER 59 Cb 0.00 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 1qa9 n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qa9 n GLY 60 N 0.14 0.64 3.73 0.23 0.00 0.20 -4.33 105.19 105.80 1qa9 n GLY 60 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1qa9 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qa9 s SER 61 N -1.77 7.09 -0.11 1.61 0.01 -1.26 -4.66 113.70 114.60 1qa9 s SER 61 Ca 0.00 2.20 -0.05 0.00 1.31 0.00 0.00 55.95 59.41 1qa9 s SER 61 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1qa9 s SER 61 CO 0.00 -0.38 0.07 -0.22 0.41 0.00 0.00 173.24 173.12 1qa9 s LEU 62 N -0.05 3.97 -0.18 2.44 2.96 -1.10 -1.14 118.68 125.58 1qa9 s LEU 62 Ca 0.54 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.73 1qa9 s LEU 62 Cb -0.32 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.46 1qa9 s LEU 62 CO 0.35 0.36 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.76 1qa9 s THR 63 N -0.77 1.52 0.01 3.68 2.01 -0.39 0.57 115.64 122.27 1qa9 s THR 63 Ca 0.13 -0.85 -0.16 0.00 0.31 0.00 0.00 61.69 61.11 1qa9 s THR 63 Cb -0.12 -1.58 -0.06 0.00 0.01 0.00 0.00 72.50 70.76 1qa9 s THR 63 CO 0.03 0.23 0.46 -0.63 -0.69 0.00 0.00 174.62 174.02 1qa9 s ILE 64 N 1.46 4.95 -0.09 1.82 1.01 -0.78 -1.42 121.20 128.15 1qa9 s ILE 64 Ca 0.01 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1qa9 s ILE 64 Cb -0.15 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1qa9 s ILE 64 CO -0.09 0.55 -0.08 -0.31 0.00 0.00 0.00 174.94 175.02 1qa9 s TYR 65 N -0.96 2.91 -0.30 3.97 1.51 0.44 -2.42 117.35 122.49 1qa9 s TYR 65 Ca 0.25 -0.13 -0.06 0.00 -1.01 0.00 0.00 57.07 56.12 1qa9 s TYR 65 Cb -0.17 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 39.93 1qa9 s TYR 65 CO 0.15 0.19 0.36 -1.71 -1.11 0.00 0.00 175.55 173.43 1qa9 n ASN 66 N 2.59 -5.42 -4.75 2.29 2.85 -0.86 -4.83 115.26 107.14 1qa9 n ASN 66 Ca -0.18 0.20 -0.41 0.00 -0.11 0.00 0.00 54.58 54.09 1qa9 n ASN 66 Cb 0.53 -3.53 0.01 0.00 1.24 0.00 0.00 39.78 38.02 1qa9 n ASN 66 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1qa9 n LEU 67 N -0.71 4.59 -0.14 1.20 4.77 0.07 -4.78 117.00 121.99 1qa9 n LEU 67 Ca 0.05 1.18 0.06 0.00 -0.03 0.00 0.00 56.01 57.26 1qa9 n LEU 67 Cb 0.34 -1.58 0.08 0.00 -2.33 0.00 0.00 43.42 39.93 1qa9 n LEU 67 CO 0.29 -0.13 0.47 0.35 -1.33 0.00 0.00 177.39 177.04 1qa9 n THR 68 N 0.15 1.22 0.00 -5.08 -2.24 -1.26 -1.47 114.28 105.60 1qa9 n THR 68 Ca 0.04 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.38 1qa9 n THR 68 Cb 0.39 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1qa9 n THR 68 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1qa9 n SER 69 N -0.88 0.00 -1.12 3.42 2.88 -1.26 -4.52 113.62 112.13 1qa9 n SER 69 Ca 0.09 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.75 1qa9 n SER 69 Cb 0.58 -0.70 0.23 0.00 -0.75 0.00 0.00 64.21 63.56 1qa9 n SER 69 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1qa9 n SER 70 N 0.00 3.36 -0.00 -3.46 7.64 -1.26 -4.10 113.62 115.80 1qa9 n SER 70 Ca 0.00 -1.98 0.09 0.00 1.01 0.00 0.00 58.87 57.99 1qa9 n SER 70 Cb 0.00 -0.25 -0.12 0.00 -1.01 0.00 0.00 64.21 62.83 1qa9 n SER 70 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1qa9 n ASP 71 N 1.42 0.78 -4.56 6.43 9.92 -1.26 -4.86 116.55 124.42 1qa9 n ASP 71 Ca 0.19 -0.66 -0.15 0.00 -0.53 0.00 0.00 54.79 53.65 1qa9 n ASP 71 Cb 0.59 1.27 -0.07 0.00 -0.64 0.00 0.00 41.12 42.28 1qa9 n ASP 71 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1qa9 s GLU 72 N -2.97 1.70 0.00 -1.24 2.12 -1.26 -4.76 118.70 112.30 1qa9 s GLU 72 Ca 0.03 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.71 1qa9 s GLU 72 Cb 0.14 -4.83 0.00 0.00 0.26 0.00 0.00 34.13 29.70 1qa9 s GLU 72 CO 0.79 -4.36 0.00 -3.47 -0.54 0.00 0.00 175.26 167.68 1qa9 n ASP 73 N 18.13 0.00 -4.54 -1.70 4.64 -1.00 -4.91 116.55 127.17 1qa9 n ASP 73 Ca 0.46 -0.07 -0.35 0.00 -1.38 0.00 0.00 54.79 53.45 1qa9 n ASP 73 Cb 0.44 0.00 -0.11 0.00 -1.04 0.00 0.00 41.12 40.40 1qa9 n ASP 73 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 1qa9 s GLU 74 N 0.79 3.80 0.08 -0.67 2.12 -1.26 -2.04 118.70 121.53 1qa9 s GLU 74 Ca 0.00 -0.43 0.09 0.00 0.36 0.00 0.00 54.97 55.00 1qa9 s GLU 74 Cb 0.00 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1qa9 s GLU 74 CO 0.00 0.09 -0.23 0.71 -0.54 0.00 0.00 175.26 175.29 1qa9 s TYR 75 N 0.85 2.40 -0.01 5.30 2.02 0.14 -2.51 117.35 125.55 1qa9 s TYR 75 Ca 0.03 -0.34 -0.12 0.00 -0.37 0.00 0.00 57.07 56.27 1qa9 s TYR 75 Cb -0.14 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.08 1qa9 s TYR 75 CO 0.02 0.27 0.24 -2.00 -1.57 0.00 0.00 175.55 172.51 1qa9 s GLU 76 N -1.71 0.59 0.14 -0.62 2.12 0.11 0.10 118.70 119.44 1qa9 s GLU 76 Ca 0.14 -0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.26 1qa9 s GLU 76 Cb -0.10 0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 1qa9 s GLU 76 CO 0.05 -0.16 -0.17 0.00 -0.54 0.00 0.00 175.26 174.44 1qa9 s MET 77 N -1.37 1.17 0.20 4.30 0.23 -1.13 0.71 119.30 123.41 1qa9 s MET 77 Ca -0.14 -1.31 0.03 0.00 -1.03 0.00 0.00 55.69 53.24 1qa9 s MET 77 Cb -0.06 -1.21 -0.05 0.00 -1.53 0.00 0.00 34.83 31.98 1qa9 s MET 77 CO 0.03 0.25 -0.03 -1.21 -2.03 0.00 0.00 175.02 172.03 1qa9 s GLU 78 N -2.59 1.21 -0.25 3.16 2.02 -0.25 -4.16 118.70 117.84 1qa9 s GLU 78 Ca 0.12 -1.58 -0.28 0.00 0.02 0.00 0.00 54.97 53.25 1qa9 s GLU 78 Cb -0.06 -0.54 0.16 0.00 0.10 0.00 0.00 34.13 33.78 1qa9 s GLU 78 CO 0.05 -0.06 1.22 0.45 0.02 0.00 0.00 175.26 176.94 1qa9 s SER 79 N -3.24 -0.21 0.18 -0.19 0.15 -1.26 -2.30 113.70 106.83 1qa9 s SER 79 Ca 0.24 0.30 -0.14 0.00 0.70 0.00 0.00 55.95 57.05 1qa9 s SER 79 Cb 0.05 0.27 0.15 0.00 -1.71 0.00 0.00 66.02 64.78 1qa9 s SER 79 CO 0.05 -0.14 1.72 -0.65 1.20 0.00 0.00 173.24 175.43 1qa9 h PRO 80 N 2.79 0.22 -6.80 5.44 0.11 -2.01 -3.36 132.00 128.39 1qa9 h PRO 80 Ca -0.19 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.38 1qa9 h PRO 80 Cb 1.18 -0.05 0.08 0.00 0.11 0.00 0.00 31.00 32.32 1qa9 h PRO 80 CO 0.22 0.15 0.90 -0.80 -0.21 0.00 0.00 178.00 178.25 1qa9 s ASN 81 N -5.32 6.35 0.14 -2.05 0.01 -1.26 -4.91 114.94 107.91 1qa9 s ASN 81 Ca -0.13 2.97 0.01 0.00 -0.71 0.00 0.00 52.86 54.99 1qa9 s ASN 81 Cb 0.14 -2.63 -0.00 0.00 0.41 0.00 0.00 41.25 39.17 1qa9 s ASN 81 CO 0.72 -0.93 0.17 0.00 -1.51 0.00 0.00 177.10 175.55 1qa9 n ILE 82 N 2.20 0.00 0.00 0.60 3.06 -1.26 -4.95 119.36 119.02 1qa9 n ILE 82 Ca 0.08 -0.83 0.00 0.00 -2.50 0.00 0.00 62.75 59.50 1qa9 n ILE 82 Cb 0.37 0.47 0.00 0.00 0.54 0.00 0.00 39.64 41.02 1qa9 n ILE 82 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1qa9 n THR 83 N -0.25 0.00 0.00 9.51 -1.04 -1.26 -5.06 114.28 116.18 1qa9 n THR 83 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1qa9 n THR 83 Cb 0.25 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1qa9 n THR 83 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1qa9 n ASP 84 N -0.76 0.00 -1.30 8.00 2.03 -1.26 -5.15 116.55 118.12 1qa9 n ASP 84 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1qa9 n ASP 84 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1qa9 n ASP 84 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1qa9 n SER 85 N 0.00 -0.22 -2.94 1.67 3.41 -1.26 -4.92 113.62 109.36 1qa9 n SER 85 Ca 0.00 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 1qa9 n SER 85 Cb 0.00 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1qa9 n SER 85 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1qa9 s MET 86 N -2.11 0.54 -0.26 4.33 1.75 -1.26 -4.59 119.30 117.71 1qa9 s MET 86 Ca 0.04 -0.27 -0.15 0.00 -1.25 0.00 0.00 55.69 54.07 1qa9 s MET 86 Cb -0.00 0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.67 1qa9 s MET 86 CO 0.03 -0.75 0.36 0.15 -0.65 0.00 0.00 175.02 174.16 1qa9 s LYS 87 N 1.70 4.04 0.11 4.11 1.02 0.31 -2.83 119.74 128.20 1qa9 s LYS 87 Ca 0.18 0.04 0.05 0.00 0.02 0.00 0.00 55.97 56.26 1qa9 s LYS 87 Cb 0.01 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 1qa9 s LYS 87 CO -0.10 -0.22 0.03 -0.06 -0.92 0.00 0.00 175.35 174.08 1qa9 s PHE 88 N 1.88 3.02 -0.29 3.18 0.40 0.29 -1.68 117.98 124.78 1qa9 s PHE 88 Ca 0.15 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.47 1qa9 s PHE 88 Cb -0.15 -1.52 0.08 0.00 0.51 0.00 0.00 43.02 41.93 1qa9 s PHE 88 CO 0.09 0.50 -0.00 0.12 0.70 0.00 0.00 175.22 176.63 1qa9 s PHE 89 N -1.43 2.87 -0.30 0.36 5.36 0.13 0.29 117.98 125.27 1qa9 s PHE 89 Ca 0.27 -2.26 -0.25 0.00 -0.96 0.00 0.00 56.93 53.73 1qa9 s PHE 89 Cb -0.11 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.46 1qa9 s PHE 89 CO 0.19 -0.87 0.87 -1.17 -1.46 0.00 0.00 175.22 172.79 1qa9 s LEU 90 N 1.22 4.05 -0.73 6.12 2.96 -0.86 -1.24 118.68 130.20 1qa9 s LEU 90 Ca 0.02 0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 54.65 1qa9 s LEU 90 Cb -0.19 -3.22 0.19 0.00 0.50 0.00 0.00 46.19 43.48 1qa9 s LEU 90 CO -0.10 -0.66 0.64 -0.31 -1.32 0.00 0.00 176.35 174.60 1qa9 s TYR 91 N 3.10 3.61 -0.83 5.38 2.02 0.71 -2.39 117.35 128.96 1qa9 s TYR 91 Ca 0.36 -2.10 -0.21 0.00 -0.37 0.00 0.00 57.07 54.75 1qa9 s TYR 91 Cb -0.14 -3.65 -0.18 0.00 -0.40 0.00 0.00 41.96 37.59 1qa9 s TYR 91 CO 0.12 -0.96 2.04 0.28 -1.57 0.00 0.00 175.55 175.46 1qa9 n VAL 92 N 4.03 0.00 -1.57 0.71 0.31 -1.26 -2.32 118.33 118.22 1qa9 n VAL 92 Ca 0.09 -0.27 -0.42 0.00 -0.01 0.00 0.00 64.34 63.73 1qa9 n VAL 92 Cb 0.44 -1.50 0.01 0.00 -0.91 0.00 0.00 33.84 31.87 1qa9 n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qa9 n GLY 93 N 6.02 -0.50 0.06 2.92 0.00 0.20 -4.70 105.19 109.19 1qa9 n GLY 93 Ca 0.39 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.52 1qa9 n GLY 93 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qa9 h GLU 94 N 1.37 -0.10 0.00 1.61 3.07 -1.89 -0.94 114.58 117.70 1qa9 h GLU 94 Ca -0.43 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1qa9 h GLU 94 Cb 1.35 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1qa9 h GLU 94 CO 0.56 -0.07 0.00 0.45 -1.40 0.00 0.00 179.01 178.55