#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q48 s ALA 2 N 0.00 0.93 -0.56 -5.12 0.00 -1.26 -4.69 121.76 111.07 1q48 s ALA 2 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 1q48 s ALA 2 Cb 0.00 -3.08 -0.14 0.00 0.00 0.00 0.00 23.12 19.89 1q48 s ALA 2 CO 0.00 -2.90 1.66 0.66 0.00 0.00 0.00 175.76 175.18 1q48 n TYR 3 N -4.22 0.37 -1.34 0.00 4.01 -1.26 -3.63 117.16 111.09 1q48 n TYR 3 Ca 0.06 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1q48 n TYR 3 Cb 0.58 -1.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 1q48 n TYR 3 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1q48 n SER 4 N 10.37 0.00 -4.25 7.72 2.88 -1.26 -5.09 113.62 123.99 1q48 n SER 4 Ca 0.29 -0.67 -0.36 0.00 -1.33 0.00 0.00 58.87 56.80 1q48 n SER 4 Cb 0.42 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.74 1q48 n SER 4 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1q48 s GLU 5 N 0.00 2.79 1.03 -1.46 4.04 -1.24 -5.03 118.70 118.83 1q48 s GLU 5 Ca 0.00 -1.04 -0.12 0.00 0.04 0.00 0.00 54.97 53.86 1q48 s GLU 5 Cb 0.00 -3.20 0.20 0.00 0.02 0.00 0.00 34.13 31.15 1q48 s GLU 5 CO 0.00 -0.50 1.02 1.17 -1.84 0.00 0.00 175.26 175.12 1q48 n LYS 6 N 4.73 -1.32 -0.01 -4.83 4.81 -1.26 -4.94 118.16 115.35 1q48 n LYS 6 Ca -0.15 -0.33 0.10 0.00 -0.87 0.00 0.00 58.31 57.06 1q48 n LYS 6 Cb 0.46 -2.25 -0.15 0.00 0.02 0.00 0.00 35.03 33.11 1q48 n LYS 6 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1q48 n VAL 7 N -4.54 0.00 -3.16 3.15 0.24 -1.26 -4.70 118.33 108.06 1q48 n VAL 7 Ca 0.08 -0.40 -0.45 0.00 -2.04 0.00 0.00 64.34 61.52 1q48 n VAL 7 Cb 0.53 0.17 -0.01 0.00 -1.47 0.00 0.00 33.84 33.06 1q48 n VAL 7 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1q48 s ILE 8 N -3.33 5.44 -0.41 1.34 1.01 -1.26 -4.81 121.20 119.18 1q48 s ILE 8 Ca -0.05 -2.70 0.09 0.00 0.00 0.00 0.00 60.65 57.98 1q48 s ILE 8 Cb 0.13 -4.69 0.28 0.00 0.01 0.00 0.00 42.46 38.19 1q48 s ILE 8 CO 0.84 -1.33 0.70 0.47 0.00 0.00 0.00 174.94 175.62 1q48 n ASP 9 N 4.44 -0.46 -4.63 3.58 8.00 -1.26 -5.09 116.55 121.12 1q48 n ASP 9 Ca 0.25 -2.99 -0.43 0.00 0.71 0.00 0.00 54.79 52.33 1q48 n ASP 9 Cb 0.43 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1q48 n ASP 9 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1q48 s HIS 10 N -1.03 2.87 -0.38 1.24 3.76 -1.26 -4.88 115.29 115.61 1q48 s HIS 10 Ca 0.34 1.00 0.07 0.00 -0.15 0.00 0.00 55.06 56.32 1q48 s HIS 10 Cb 0.24 -3.81 0.71 0.00 1.11 0.00 0.00 32.58 30.83 1q48 s HIS 10 CO -0.12 -1.36 1.84 2.48 -0.85 0.00 0.00 174.74 176.74 1q48 n TYR 11 N 7.27 2.69 -3.20 1.40 0.18 -1.26 -4.67 117.16 119.57 1q48 n TYR 11 Ca 0.14 -1.44 -0.36 0.00 1.88 0.00 0.00 57.90 58.12 1q48 n TYR 11 Cb 0.47 -0.79 -0.03 0.00 -0.38 0.00 0.00 39.34 38.61 1q48 n TYR 11 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 1q48 n GLU 12 N -0.52 3.59 -3.12 -3.48 4.07 -1.26 -4.83 120.64 115.09 1q48 n GLU 12 Ca 0.48 -4.61 -0.21 0.00 -0.06 0.00 0.00 57.16 52.76 1q48 n GLU 12 Cb 1.50 -2.40 -0.03 0.00 -0.06 0.00 0.00 31.44 30.44 1q48 n GLU 12 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1q48 n ASN 13 N 1.13 1.86 -3.73 4.31 2.85 -1.26 -5.10 115.26 115.32 1q48 n ASN 13 Ca 0.28 -3.19 0.00 0.00 -0.11 0.00 0.00 54.58 51.55 1q48 n ASN 13 Cb 0.37 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 40.78 1q48 n ASN 13 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1q48 n PRO 14 N 0.17 1.97 -0.02 1.20 -0.04 -1.26 -4.91 135.00 132.11 1q48 n PRO 14 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1q48 n PRO 14 Cb 0.58 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1q48 n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1q48 n ARG 15 N 0.00 -0.03 0.00 0.54 3.00 -1.26 -5.02 116.66 113.88 1q48 n ARG 15 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 1q48 n ARG 15 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 32.46 32.42 1q48 n ARG 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1q48 n ASN 16 N -1.99 0.00 -4.31 0.55 4.13 -1.26 -5.05 115.26 107.32 1q48 n ASN 16 Ca 0.00 0.00 -0.46 0.00 1.68 0.00 0.00 54.58 55.80 1q48 n ASN 16 Cb 0.01 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.23 1q48 n ASN 16 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1q48 s VAL 17 N 1.57 5.58 1.06 2.41 -7.23 -1.26 -5.05 120.40 117.48 1q48 s VAL 17 Ca 0.00 -2.75 -0.16 0.00 -1.81 0.00 0.00 61.98 57.26 1q48 s VAL 17 Cb 0.00 -4.43 0.15 0.00 0.56 0.00 0.00 36.38 32.67 1q48 s VAL 17 CO 0.00 -1.06 0.20 0.61 -0.31 0.00 0.00 175.10 174.55 1q48 n GLY 18 N 3.61 -2.58 3.33 2.32 0.00 -1.26 -4.75 105.19 105.87 1q48 n GLY 18 Ca 0.16 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 1q48 n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q48 n SER 19 N -1.45 -2.55 -2.71 1.61 2.88 -1.26 -4.78 113.62 105.36 1q48 n SER 19 Ca 0.05 0.75 -0.31 0.00 -1.33 0.00 0.00 58.87 58.03 1q48 n SER 19 Cb 0.45 -0.96 -0.03 0.00 -0.75 0.00 0.00 64.21 62.92 1q48 n SER 19 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1q48 n LEU 20 N 1.91 6.85 -1.19 2.46 4.77 -1.26 -4.98 117.00 125.55 1q48 n LEU 20 Ca 0.10 -4.32 0.12 0.00 -0.03 0.00 0.00 56.01 51.87 1q48 n LEU 20 Cb 0.44 -1.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.24 1q48 n LEU 20 CO 0.54 1.79 -0.45 0.47 -1.33 0.00 0.00 177.39 178.40 1q48 n ASP 21 N 0.75 -5.57 -0.27 -1.43 9.92 -1.26 -3.47 116.55 115.22 1q48 n ASP 21 Ca 0.51 1.06 0.00 0.00 -0.53 0.00 0.00 54.79 55.83 1q48 n ASP 21 Cb 0.46 -4.00 0.00 0.00 -0.64 0.00 0.00 41.12 36.93 1q48 n ASP 21 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1q48 n LYS 22 N -3.89 0.32 -0.82 -1.24 2.85 -1.26 -2.81 118.16 111.31 1q48 n LYS 22 Ca -0.06 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.16 1q48 n LYS 22 Cb 0.48 -1.09 0.26 0.00 -0.65 0.00 0.00 35.03 34.03 1q48 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1q48 n LYS 23 N -0.05 3.38 -2.99 -1.58 4.76 -1.23 -4.93 118.16 115.52 1q48 n LYS 23 Ca 0.00 -2.49 -0.20 0.00 -2.87 0.00 0.00 58.31 52.74 1q48 n LYS 23 Cb 0.04 -2.06 0.02 0.00 -1.84 0.00 0.00 35.03 31.19 1q48 n LYS 23 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1q48 s ASP 24 N -0.70 5.66 0.00 4.39 2.15 -1.13 -5.00 116.67 122.04 1q48 s ASP 24 Ca 0.45 -0.05 0.21 0.00 0.43 0.00 0.00 52.55 53.59 1q48 s ASP 24 Cb 0.35 -1.09 0.49 0.00 -0.30 0.00 0.00 42.92 42.37 1q48 s ASP 24 CO 0.11 -0.79 1.42 -1.20 -0.17 0.00 0.00 175.17 174.55 1q48 n SER 25 N -2.02 3.56 -0.22 -0.34 7.64 -1.26 -4.29 113.62 116.70 1q48 n SER 25 Ca 0.04 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.95 1q48 n SER 25 Cb 0.59 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1q48 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1q48 n ASN 26 N 1.44 0.00 -4.00 6.43 3.02 -1.26 -4.94 115.26 115.95 1q48 n ASN 26 Ca 0.20 -1.34 -0.32 0.00 -0.03 0.00 0.00 54.58 53.09 1q48 n ASN 26 Cb 0.59 -0.07 -0.13 0.00 -0.61 0.00 0.00 39.78 39.55 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q48 s VAL 27 N 0.00 2.72 0.48 2.41 1.01 -1.26 -1.46 120.40 124.30 1q48 s VAL 27 Ca 0.00 -2.95 -0.17 0.00 0.00 0.00 0.00 61.98 58.86 1q48 s VAL 27 Cb 0.00 -2.89 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 1q48 s VAL 27 CO 0.00 -0.75 0.96 -0.83 0.00 0.00 0.00 175.10 174.47 1q48 s GLY 28 N 0.28 2.15 -0.13 4.51 0.00 -1.02 -4.71 107.32 108.41 1q48 s GLY 28 Ca 0.15 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1q48 s GLY 28 CO -0.03 0.48 -0.11 -1.59 0.00 0.00 0.00 173.10 171.86 1q48 s THR 29 N -2.47 1.29 -0.34 0.90 2.01 -1.26 -2.58 115.64 113.17 1q48 s THR 29 Ca 0.59 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 1q48 s THR 29 Cb -0.10 -1.24 0.07 0.00 0.01 0.00 0.00 72.50 71.24 1q48 s THR 29 CO 0.26 0.41 0.09 -0.83 -0.69 0.00 0.00 174.62 173.86 1q48 s GLY 30 N 1.53 1.85 -0.29 4.40 0.00 0.53 -4.32 107.32 111.02 1q48 s GLY 30 Ca 0.04 -2.03 -0.04 0.00 0.00 0.00 0.00 44.72 42.69 1q48 s GLY 30 CO -0.08 0.82 0.02 -0.29 0.00 0.00 0.00 173.10 173.57 1q48 s MET 31 N 1.24 2.72 0.09 2.90 1.75 -1.26 -0.55 119.30 126.19 1q48 s MET 31 Ca 0.00 -1.08 0.03 0.00 -1.25 0.00 0.00 55.69 53.39 1q48 s MET 31 Cb -0.21 -3.23 -0.03 0.00 2.84 0.00 0.00 34.83 34.20 1q48 s MET 31 CO -0.01 -0.53 -0.10 0.14 -0.65 0.00 0.00 175.02 173.86 1q48 s VAL 32 N 1.36 0.88 0.00 10.11 -7.23 -0.38 -5.01 120.40 120.12 1q48 s VAL 32 Ca -0.01 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1q48 s VAL 32 Cb -0.18 -1.25 -0.00 0.00 0.56 0.00 0.00 36.38 35.51 1q48 s VAL 32 CO -0.00 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.87 1q48 n GLY 33 N 0.71 4.04 2.74 2.32 0.00 -1.26 -0.67 105.19 113.07 1q48 n GLY 33 Ca -0.17 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 1q48 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 s ALA 34 N -2.01 -0.34 0.22 4.61 0.00 -0.49 -4.92 121.76 118.83 1q48 s ALA 34 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 1q48 s ALA 34 Cb 0.00 -1.97 0.33 0.00 0.00 0.00 0.00 23.12 21.48 1q48 s ALA 34 CO 0.00 -2.05 1.66 -1.35 0.00 0.00 0.00 175.76 174.01 1q48 h PRO 35 N 7.29 0.11 -1.34 0.00 0.11 -1.94 0.47 132.00 136.70 1q48 h PRO 35 Ca 0.01 -0.01 0.41 0.00 0.11 0.00 0.00 66.00 66.53 1q48 h PRO 35 Cb 1.05 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.04 1q48 h PRO 35 CO 0.23 0.07 0.90 0.00 -0.21 0.00 0.00 178.00 179.00 1q48 h ALA 36 N 1.60 2.87 0.00 -0.75 0.00 -1.99 0.49 119.26 121.49 1q48 h ALA 36 Ca 0.35 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1q48 h ALA 36 Cb 0.58 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1q48 h ALA 36 CO -0.57 -1.40 -0.00 0.00 0.00 0.00 0.00 179.25 177.28 1q48 n GLY 38 N -0.69 -0.62 3.01 0.00 0.00 0.17 -4.92 105.19 102.13 1q48 n GLY 38 Ca 0.03 0.29 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 1q48 n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q48 s ASP 39 N -3.79 2.99 -0.09 1.61 -1.08 -1.05 -4.96 116.67 110.30 1q48 s ASP 39 Ca 0.34 -0.66 -0.21 0.00 -0.52 0.00 0.00 52.55 51.50 1q48 s ASP 39 Cb -0.19 -1.20 -0.04 0.00 -1.46 0.00 0.00 42.92 40.04 1q48 s ASP 39 CO 0.98 -0.10 0.59 -0.69 0.52 0.00 0.00 175.17 176.46 1q48 s VAL 40 N 1.45 5.12 -0.03 1.11 1.01 -1.25 -1.39 120.40 126.41 1q48 s VAL 40 Ca 0.02 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.23 1q48 s VAL 40 Cb -0.14 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 1q48 s VAL 40 CO -0.10 0.29 -0.14 -0.32 0.00 0.00 0.00 175.10 174.84 1q48 s MET 41 N 0.70 1.32 0.32 2.72 1.75 0.15 -3.52 119.30 122.74 1q48 s MET 41 Ca 0.32 -0.48 0.09 0.00 -1.25 0.00 0.00 55.69 54.36 1q48 s MET 41 Cb -0.16 -1.21 -0.06 0.00 2.84 0.00 0.00 34.83 36.23 1q48 s MET 41 CO 0.14 0.23 -0.10 -1.14 -0.65 0.00 0.00 175.02 173.49 1q48 s GLN 42 N -0.04 1.72 -0.27 4.11 0.74 -0.72 -1.25 119.66 123.96 1q48 s GLN 42 Ca -0.00 -1.87 -0.13 0.00 0.05 0.00 0.00 55.36 53.41 1q48 s GLN 42 Cb -0.09 -1.57 0.09 0.00 1.10 0.00 0.00 33.01 32.55 1q48 s GLN 42 CO 0.01 0.15 0.63 -1.17 -0.55 0.00 0.00 175.29 174.35 1q48 s LEU 43 N -3.55 -0.90 -0.02 3.68 2.96 0.29 -3.38 118.68 117.76 1q48 s LEU 43 Ca 0.31 1.43 0.07 0.00 -0.22 0.00 0.00 54.13 55.72 1q48 s LEU 43 Cb 0.02 2.18 -0.02 0.00 0.50 0.00 0.00 46.19 48.86 1q48 s LEU 43 CO 0.15 -0.23 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.64 1q48 s GLN 44 N 2.07 2.22 -0.09 1.98 -0.21 0.11 -0.35 119.66 125.39 1q48 s GLN 44 Ca -0.08 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 54.44 1q48 s GLN 44 Cb -0.08 -2.16 0.02 0.00 1.00 0.00 0.00 33.01 31.79 1q48 s GLN 44 CO -0.18 0.58 -0.09 0.96 -2.12 0.00 0.00 175.29 174.43 1q48 s ILE 45 N -0.68 1.04 -0.05 1.08 -4.36 -1.07 -2.33 121.20 114.83 1q48 s ILE 45 Ca 0.11 -0.35 -0.04 0.00 -0.26 0.00 0.00 60.65 60.12 1q48 s ILE 45 Cb -0.10 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.56 1q48 s ILE 45 CO 0.00 0.35 0.14 -0.75 0.24 0.00 0.00 174.94 174.92 1q48 s LYS 46 N 1.27 3.33 0.12 0.37 2.20 -1.00 -2.45 119.74 123.58 1q48 s LYS 46 Ca -0.03 -0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.32 1q48 s LYS 46 Cb -0.14 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1q48 s LYS 46 CO -0.03 0.71 -0.12 0.08 -0.36 0.00 0.00 175.35 175.63 1q48 s VAL 47 N -1.17 1.15 0.00 4.02 1.01 -0.53 -3.50 120.40 121.37 1q48 s VAL 47 Ca 0.21 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.41 1q48 s VAL 47 Cb -0.12 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1q48 s VAL 47 CO 0.12 -0.56 0.00 -0.67 0.00 0.00 0.00 175.10 173.99 1q48 n ASP 48 N 0.34 0.00 0.00 3.32 2.03 -0.90 -4.83 116.55 116.51 1q48 n ASP 48 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1q48 n ASP 48 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1q48 n ASP 48 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1q48 n ASP 49 N 0.00 0.00 0.00 1.67 5.68 -1.26 -4.84 116.55 117.80 1q48 n ASP 49 Ca 0.00 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1q48 n ASP 49 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1q48 n ASP 49 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1q48 n ASN 50 N 0.00 3.81 0.00 -1.12 2.04 -1.26 -5.02 115.26 113.71 1q48 n ASN 50 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1q48 n ASN 50 Cb 0.47 0.40 0.00 0.00 -2.53 0.00 0.00 39.78 38.12 1q48 n ASN 50 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1q48 n GLY 51 N 2.38 0.15 3.74 4.83 0.00 -1.26 -5.00 105.19 110.04 1q48 n GLY 51 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1q48 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q48 s ILE 52 N -0.43 4.23 -0.50 -0.61 -1.09 -1.26 -1.84 121.20 119.70 1q48 s ILE 52 Ca 0.00 2.02 -0.21 0.00 -2.23 0.00 0.00 60.65 60.23 1q48 s ILE 52 Cb 0.00 -4.29 0.04 0.00 -1.58 0.00 0.00 42.46 36.64 1q48 s ILE 52 CO 0.00 0.39 0.72 -0.63 -1.23 0.00 0.00 174.94 174.19 1q48 s ILE 53 N -0.53 4.72 -0.31 2.92 1.01 -0.89 -2.12 121.20 126.00 1q48 s ILE 53 Ca 0.45 -0.08 0.27 0.00 0.00 0.00 0.00 60.65 61.29 1q48 s ILE 53 Cb -0.25 -4.34 0.30 0.00 0.01 0.00 0.00 42.46 38.18 1q48 s ILE 53 CO 0.32 -0.83 1.80 -0.33 0.00 0.00 0.00 174.94 175.90 1q48 h GLU 54 N 9.05 0.00 -1.42 2.79 4.39 -1.90 0.12 114.58 127.62 1q48 h GLU 54 Ca -0.26 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.59 1q48 h GLU 54 Cb 1.09 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.50 1q48 h GLU 54 CO 0.98 0.00 0.71 0.34 -1.16 0.00 0.00 179.01 179.88 1q48 s ASP 55 N -4.76 -0.23 -0.22 1.42 2.15 -1.26 -4.76 116.67 109.01 1q48 s ASP 55 Ca 0.04 0.21 -0.02 0.00 0.43 0.00 0.00 52.55 53.21 1q48 s ASP 55 Cb 0.09 0.20 0.07 0.00 -0.30 0.00 0.00 42.92 42.98 1q48 s ASP 55 CO 0.46 -0.24 0.04 0.00 -0.17 0.00 0.00 175.17 175.26 1q48 s ALA 56 N -1.34 1.21 0.25 3.66 0.00 -1.26 -2.38 121.76 121.91 1q48 s ALA 56 Ca 0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 1q48 s ALA 56 Cb -0.01 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 1q48 s ALA 56 CO -0.03 -1.29 0.49 0.15 0.00 0.00 0.00 175.76 175.08 1q48 s LYS 57 N 1.76 3.58 0.24 0.00 1.02 -0.99 -4.93 119.74 120.42 1q48 s LYS 57 Ca 0.01 -0.15 0.04 0.00 0.02 0.00 0.00 55.97 55.89 1q48 s LYS 57 Cb -0.17 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1q48 s LYS 57 CO -0.12 0.29 0.16 1.97 -0.92 0.00 0.00 175.35 176.73 1q48 n PHE 58 N -0.85 -0.33 -3.15 3.18 -1.74 -1.26 -0.71 117.46 112.59 1q48 n PHE 58 Ca -0.03 -1.85 0.05 0.00 -0.56 0.00 0.00 57.45 55.06 1q48 n PHE 58 Cb 0.54 0.13 -0.01 0.00 1.52 0.00 0.00 39.48 41.66 1q48 n PHE 58 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1q48 s LYS 59 N -2.95 0.35 0.03 3.97 -0.14 -1.22 -4.89 119.74 114.89 1q48 s LYS 59 Ca 0.23 0.54 0.05 0.00 -1.36 0.00 0.00 55.97 55.43 1q48 s LYS 59 Cb 0.01 0.29 -0.03 0.00 -1.68 0.00 0.00 37.83 36.42 1q48 s LYS 59 CO 0.16 -0.47 -0.11 0.95 -0.76 0.00 0.00 175.35 175.13 1q48 s THR 60 N 2.91 3.35 -0.27 2.17 -4.23 -1.26 -1.75 115.64 116.56 1q48 s THR 60 Ca 0.12 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 1q48 s THR 60 Cb -0.10 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.44 1q48 s THR 60 CO -0.18 0.34 0.46 -0.47 -0.54 0.00 0.00 174.62 174.23 1q48 s TYR 61 N -1.00 -1.13 0.00 3.99 6.14 -1.23 -4.98 117.35 119.14 1q48 s TYR 61 Ca 0.17 1.08 0.00 0.00 0.64 0.00 0.00 57.07 58.96 1q48 s TYR 61 Cb -0.11 0.19 0.00 0.00 0.42 0.00 0.00 41.96 42.46 1q48 s TYR 61 CO 0.08 -0.81 0.00 0.41 0.64 0.00 0.00 175.55 175.87 1q48 n GLY 62 N 5.39 0.17 3.64 8.97 0.00 -1.26 -3.97 105.19 118.13 1q48 n GLY 62 Ca -0.02 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1q48 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n GLY 64 N 2.69 3.00 0.31 0.00 0.00 -1.26 -3.39 105.19 106.54 1q48 n GLY 64 Ca -0.18 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 1q48 n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q48 n SER 65 N 0.91 -0.03 -0.04 1.61 7.64 -1.26 -4.96 113.62 117.49 1q48 n SER 65 Ca 0.11 -0.61 -0.08 0.00 1.01 0.00 0.00 58.87 59.31 1q48 n SER 65 Cb 0.56 0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.63 1q48 n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q48 n ALA 66 N 0.00 1.55 -0.32 -0.43 0.00 -1.22 -4.08 120.51 116.02 1q48 n ALA 66 Ca -0.01 -0.92 0.35 0.00 0.00 0.00 0.00 53.44 52.86 1q48 n ALA 66 Cb 0.30 -0.65 0.63 0.00 0.00 0.00 0.00 19.45 19.73 1q48 n ALA 66 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1q48 h ILE 67 N 0.00 0.10 -0.40 0.00 1.08 -1.93 -0.21 117.51 116.15 1q48 h ILE 67 Ca -0.35 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.18 1q48 h ILE 67 Cb 2.04 0.15 -0.09 0.00 -3.07 0.00 0.00 36.82 35.84 1q48 h ILE 67 CO 0.06 0.00 -0.46 0.00 -0.69 0.00 0.00 178.15 177.06 1q48 h ALA 68 N 0.90 -0.52 -0.00 1.87 0.00 -1.99 0.69 119.26 120.21 1q48 h ALA 68 Ca 0.58 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.53 1q48 h ALA 68 Cb 2.82 0.95 0.00 0.00 0.00 0.00 0.00 17.79 21.56 1q48 h ALA 68 CO -0.01 -0.91 -0.01 0.66 0.00 0.00 0.00 179.25 178.98 1q48 h SER 69 N -0.35 0.01 -0.93 0.00 4.64 -1.34 -2.65 113.55 112.92 1q48 h SER 69 Ca 0.12 -0.63 0.22 0.00 -0.47 0.00 0.00 61.79 61.03 1q48 h SER 69 Cb 0.59 -0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.56 1q48 h SER 69 CO -0.58 0.64 0.48 0.28 -0.87 0.00 0.00 176.83 176.78 1q48 h SER 70 N -0.62 0.49 -0.24 4.97 0.02 -1.35 0.38 113.55 117.20 1q48 h SER 70 Ca -0.00 0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1q48 h SER 70 Cb 0.64 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1q48 h SER 70 CO 0.00 0.06 -0.10 0.28 -1.14 0.00 0.00 176.83 175.93 1q48 h SER 71 N 0.50 0.50 0.00 3.07 0.02 0.39 -2.54 113.55 115.49 1q48 h SER 71 Ca 0.58 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1q48 h SER 71 Cb 1.08 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1q48 h SER 71 CO -0.49 0.79 0.00 -0.11 -1.14 0.00 0.00 176.83 175.88 1q48 n LEU 72 N -4.52 0.00 -0.33 5.07 7.94 0.03 -1.29 117.00 123.90 1q48 n LEU 72 Ca -0.04 0.94 0.18 0.00 -1.11 0.00 0.00 56.01 55.98 1q48 n LEU 72 Cb 0.33 -0.44 0.36 0.00 0.53 0.00 0.00 43.42 44.20 1q48 n LEU 72 CO 0.40 -0.44 0.87 -0.29 -1.11 0.00 0.00 177.39 176.82 1q48 h ILE 73 N 0.00 0.04 -0.72 1.96 2.10 -1.41 1.48 117.51 120.96 1q48 h ILE 73 Ca 0.00 -0.01 0.02 0.00 1.08 0.00 0.00 64.86 65.96 1q48 h ILE 73 Cb 0.00 0.01 -0.04 0.00 -1.09 0.00 0.00 36.82 35.71 1q48 h ILE 73 CO 0.00 0.00 0.48 0.71 -1.08 0.00 0.00 178.15 178.26 1q48 h THR 74 N 0.03 1.13 0.24 2.19 1.35 -1.15 -1.15 112.91 115.55 1q48 h THR 74 Ca 0.65 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 66.19 1q48 h THR 74 Cb 1.45 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1q48 h THR 74 CO -0.86 0.17 -0.12 -0.08 -0.25 0.00 0.00 175.52 174.38 1q48 h GLU 75 N 0.91 -0.31 -0.86 4.72 4.81 0.34 -3.13 114.58 121.06 1q48 h GLU 75 Ca 0.28 0.02 0.23 0.00 -0.13 0.00 0.00 59.36 59.76 1q48 h GLU 75 Cb -0.00 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1q48 h GLU 75 CO -0.07 0.05 0.60 -1.49 -0.73 0.00 0.00 179.01 177.37 1q48 h TRP 76 N -0.91 0.20 -2.41 0.92 4.06 -1.08 -2.23 115.95 114.51 1q48 h TRP 76 Ca -0.03 0.01 -0.75 0.00 2.06 0.00 0.00 58.89 60.17 1q48 h TRP 76 Cb 0.50 -0.06 -0.31 0.00 -1.00 0.00 0.00 29.16 28.29 1q48 h TRP 76 CO 0.06 0.05 0.53 1.33 -3.56 0.00 0.00 178.44 176.85 1q48 n VAL 77 N -4.37 5.07 -3.43 1.49 0.24 -0.45 -4.75 118.33 112.13 1q48 n VAL 77 Ca 0.18 -5.84 -0.22 0.00 -2.04 0.00 0.00 64.34 56.42 1q48 n VAL 77 Cb 0.83 -1.69 -0.11 0.00 -1.47 0.00 0.00 33.84 31.40 1q48 n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1q48 s LYS 78 N -3.67 0.42 0.00 7.34 2.20 -0.84 -4.50 119.74 120.69 1q48 s LYS 78 Ca 0.39 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1q48 s LYS 78 Cb 0.17 -0.90 0.00 0.00 -1.51 0.00 0.00 37.83 35.59 1q48 s LYS 78 CO -0.07 -1.11 0.00 0.41 -0.36 0.00 0.00 175.35 174.23 1q48 n GLY 79 N 4.77 1.91 0.00 5.54 0.00 0.42 -4.96 105.19 112.86 1q48 n GLY 79 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1q48 n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q48 n LYS 80 N -1.14 0.99 -4.41 1.61 4.76 -1.26 -4.48 118.16 114.22 1q48 n LYS 80 Ca 0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 1q48 n LYS 80 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 1q48 n LYS 80 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1q48 s SER 81 N -1.20 3.85 0.61 4.39 0.15 -1.26 -2.08 113.70 118.16 1q48 s SER 81 Ca 0.00 -0.89 0.35 0.00 0.70 0.00 0.00 55.95 56.11 1q48 s SER 81 Cb 0.00 -0.45 1.92 0.00 -1.71 0.00 0.00 66.02 65.78 1q48 s SER 81 CO 0.00 0.04 2.08 -0.07 1.20 0.00 0.00 173.24 176.49 1q48 h LEU 82 N 2.31 0.00 -1.16 3.45 3.38 -1.75 0.14 115.31 121.68 1q48 h LEU 82 Ca -0.42 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 1q48 h LEU 82 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1q48 h LEU 82 CO 0.59 0.00 -0.37 -0.08 0.09 0.00 0.00 178.44 178.66 1q48 h GLU 83 N 0.00 0.08 0.07 1.13 4.81 -1.90 0.76 114.58 119.54 1q48 h GLU 83 Ca 0.00 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 58.96 1q48 h GLU 83 Cb 0.28 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1q48 h GLU 83 CO 0.00 0.45 -1.23 1.49 -0.73 0.00 0.00 179.01 178.99 1q48 h GLU 84 N 0.07 0.15 0.00 1.92 4.57 -1.13 -3.32 114.58 116.85 1q48 h GLU 84 Ca 0.01 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1q48 h GLU 84 Cb 0.70 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1q48 h GLU 84 CO 0.05 1.13 0.00 0.00 -1.18 0.00 0.00 179.01 179.01 1q48 n ALA 85 N -3.03 1.75 -2.17 2.92 0.00 -1.03 -2.30 120.51 116.64 1q48 n ALA 85 Ca -0.25 -0.02 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 1q48 n ALA 85 Cb 0.80 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.96 1q48 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q48 n GLY 86 N 0.18 6.01 0.00 0.00 0.00 0.26 -4.58 105.19 107.05 1q48 n GLY 86 Ca 0.04 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.40 1q48 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n ALA 87 N -0.58 0.00 -0.49 4.61 0.00 -1.15 -4.89 120.51 118.01 1q48 n ALA 87 Ca 0.45 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.72 1q48 n ALA 87 Cb 0.66 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.26 1q48 n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1q48 n ILE 88 N -0.54 0.00 -4.20 0.00 -5.35 -0.97 -5.04 119.36 103.26 1q48 n ILE 88 Ca 0.00 -0.01 -0.18 0.00 -0.27 0.00 0.00 62.75 62.29 1q48 n ILE 88 Cb 0.00 -0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 37.32 1q48 n ILE 88 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1q48 s LYS 89 N -3.58 1.89 0.02 6.28 1.02 -1.26 -5.04 119.74 119.06 1q48 s LYS 89 Ca 0.36 -1.95 0.22 0.00 0.02 0.00 0.00 55.97 54.62 1q48 s LYS 89 Cb -0.06 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.60 1q48 s LYS 89 CO 0.31 -0.74 0.97 0.27 -0.92 0.00 0.00 175.35 175.24 1q48 n ASN 90 N -1.63 0.65 -0.08 2.83 6.94 -1.26 -4.03 115.26 118.68 1q48 n ASN 90 Ca 0.05 -0.44 -0.14 0.00 -0.02 0.00 0.00 54.58 54.03 1q48 n ASN 90 Cb 0.62 0.93 -0.05 0.00 -2.36 0.00 0.00 39.78 38.92 1q48 n ASN 90 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1q48 h SER 91 N 0.00 0.80 0.15 0.53 0.87 -1.96 -1.58 113.55 112.36 1q48 h SER 91 Ca 0.00 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 1q48 h SER 91 Cb 0.66 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1q48 h SER 91 CO 0.00 1.17 -0.07 1.56 -0.53 0.00 0.00 176.83 178.95 1q48 h GLN 92 N 0.47 -0.20 -0.14 2.24 7.50 -2.00 -2.36 115.11 120.61 1q48 h GLN 92 Ca 0.02 0.01 0.04 0.00 0.50 0.00 0.00 58.65 59.23 1q48 h GLN 92 Cb 1.00 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.57 1q48 h GLN 92 CO 0.09 0.10 0.13 0.82 -1.50 0.00 0.00 178.83 178.47 1q48 h ILE 93 N -0.50 0.63 -0.36 2.54 2.04 -1.70 -0.69 117.51 119.46 1q48 h ILE 93 Ca -0.02 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 1q48 h ILE 93 Cb 0.39 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1q48 h ILE 93 CO 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 177.97 1q48 h ALA 94 N 1.87 0.52 0.00 1.87 0.00 -0.81 -1.80 119.26 120.91 1q48 h ALA 94 Ca 0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1q48 h ALA 94 Cb 0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1q48 h ALA 94 CO -0.00 0.48 -0.11 0.93 0.00 0.00 0.00 179.25 180.55 1q48 h GLU 95 N 0.58 0.00 0.07 0.00 4.39 -0.66 0.18 114.58 119.14 1q48 h GLU 95 Ca 0.08 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1q48 h GLU 95 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1q48 h GLU 95 CO 0.06 0.11 -0.03 1.49 -1.16 0.00 0.00 179.01 179.47 1q48 h GLU 96 N 0.00 -0.09 -0.00 2.33 4.57 -1.01 -3.26 114.58 117.11 1q48 h GLU 96 Ca -0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1q48 h GLU 96 Cb 0.61 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1q48 h GLU 96 CO 0.01 0.38 -0.01 -0.11 -1.18 0.00 0.00 179.01 178.10 1q48 n LEU 97 N -4.79 0.09 -3.54 1.64 7.94 -0.71 -4.93 117.00 112.70 1q48 n LEU 97 Ca -0.06 0.14 -0.20 0.00 -1.11 0.00 0.00 56.01 54.77 1q48 n LEU 97 Cb 0.25 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1q48 n LEU 97 CO 0.20 0.02 -0.21 1.21 -1.11 0.00 0.00 177.39 177.50 1q48 n GLU 98 N -1.12 -1.25 -3.76 1.96 0.00 0.63 -4.89 120.64 112.21 1q48 n GLU 98 Ca 0.18 0.60 -0.31 0.00 0.00 0.00 0.00 57.16 57.63 1q48 n GLU 98 Cb 0.20 -1.76 -0.04 0.00 0.00 0.00 0.00 31.44 29.83 1q48 n GLU 98 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1q48 s LEU 99 N -4.34 4.30 0.57 4.31 2.34 -1.23 -5.07 118.68 119.56 1q48 s LEU 99 Ca 0.01 0.48 -0.18 0.00 0.06 0.00 0.00 54.13 54.50 1q48 s LEU 99 Cb -0.00 -3.17 -0.05 0.00 -0.56 0.00 0.00 46.19 42.41 1q48 s LEU 99 CO 0.72 0.10 1.10 -2.16 -1.06 0.00 0.00 176.35 175.05 1q48 s PRO 100 N -2.57 3.29 0.00 1.48 0.04 -1.26 -4.90 135.00 131.08 1q48 s PRO 100 Ca 0.39 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1q48 s PRO 100 Cb -0.12 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1q48 s PRO 100 CO 0.25 -0.87 0.29 -0.35 0.04 0.00 0.00 177.00 176.36 1q48 n PRO 101 N -1.58 0.55 -0.64 0.56 -0.04 -1.26 -3.41 135.00 129.19 1q48 n PRO 101 Ca 0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1q48 n PRO 101 Cb 0.52 -1.26 0.33 0.00 -0.04 0.00 0.00 33.50 33.05 1q48 n PRO 101 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1q48 n VAL 102 N 0.18 1.91 -2.61 0.52 0.24 -1.26 -4.42 118.33 112.89 1q48 n VAL 102 Ca 0.00 -1.11 -0.03 0.00 -2.04 0.00 0.00 64.34 61.17 1q48 n VAL 102 Cb 0.13 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1q48 n VAL 102 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1q48 n LYS 103 N 0.82 0.22 0.00 7.34 4.81 -1.22 -4.98 118.16 125.16 1q48 n LYS 103 Ca 0.23 -0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.13 1q48 n LYS 103 Cb 0.91 0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.98 1q48 n LYS 103 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1q48 n VAL 104 N -0.43 0.02 0.01 3.15 0.31 -1.26 -2.71 118.33 117.42 1q48 n VAL 104 Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.06 1q48 n VAL 104 Cb 0.62 -0.18 -0.13 0.00 -0.91 0.00 0.00 33.84 33.24 1q48 n VAL 104 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1q48 h HIS 105 N 0.76 0.03 -0.36 3.52 6.17 -1.95 -3.26 115.15 120.06 1q48 h HIS 105 Ca 0.00 -0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.00 1q48 h HIS 105 Cb 0.16 -0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.07 1q48 h HIS 105 CO 0.00 1.04 0.02 0.00 0.71 0.00 0.00 177.93 179.70 1q48 h SER 107 N 0.44 0.44 0.41 0.00 0.02 -1.80 0.16 113.55 113.22 1q48 h SER 107 Ca 0.10 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1q48 h SER 107 Cb 0.42 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1q48 h SER 107 CO 0.01 0.32 -0.41 0.40 -1.14 0.00 0.00 176.83 176.01 1q48 h ILE 108 N 0.54 1.30 -0.15 3.27 2.04 -1.56 -2.77 117.51 120.16 1q48 h ILE 108 Ca 0.17 -1.41 -0.20 0.00 1.00 0.00 0.00 64.86 64.42 1q48 h ILE 108 Cb -0.01 1.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1q48 h ILE 108 CO -0.07 0.40 -0.69 -0.07 0.00 0.00 0.00 178.15 177.72 1q48 h LEU 109 N 0.00 0.87 0.38 1.44 4.07 -0.00 -0.64 115.31 121.44 1q48 h LEU 109 Ca -0.00 -0.62 -0.02 0.00 0.08 0.00 0.00 57.88 57.31 1q48 h LEU 109 Cb 0.73 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1q48 h LEU 109 CO 0.05 1.35 -0.18 0.00 -1.08 0.00 0.00 178.44 178.58 1q48 h ALA 110 N 0.54 -0.51 0.44 1.53 0.00 -0.55 -0.44 119.26 120.27 1q48 h ALA 110 Ca -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1q48 h ALA 110 Cb 1.32 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1q48 h ALA 110 CO 0.14 -0.78 -0.21 1.49 0.00 0.00 0.00 179.25 179.89 1q48 h GLU 111 N -0.52 -0.57 0.00 0.00 4.57 -1.57 -2.44 114.58 114.05 1q48 h GLU 111 Ca -0.05 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1q48 h GLU 111 Cb 0.40 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1q48 h GLU 111 CO 0.09 -0.27 0.37 0.22 -1.18 0.00 0.00 179.01 178.24 1q48 h ASP 112 N -0.96 0.00 0.00 1.04 1.82 -1.14 -1.43 116.42 115.75 1q48 h ASP 112 Ca -0.06 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.54 1q48 h ASP 112 Cb 0.57 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 1q48 h ASP 112 CO 0.10 0.00 -0.30 0.00 -1.61 0.00 0.00 179.24 177.43 1q48 h ALA 113 N 1.16 0.05 -0.92 -0.78 0.00 -0.65 -2.71 119.26 115.39 1q48 h ALA 113 Ca 0.00 -0.45 0.24 0.00 0.00 0.00 0.00 54.91 54.69 1q48 h ALA 113 Cb 0.74 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1q48 h ALA 113 CO 0.00 0.21 0.63 0.97 0.00 0.00 0.00 179.25 181.06 1q48 h ILE 114 N -1.00 0.60 0.21 0.00 6.09 -0.82 -2.19 117.51 120.40 1q48 h ILE 114 Ca -0.06 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 63.34 1q48 h ILE 114 Cb 0.63 0.35 0.00 0.00 0.47 0.00 0.00 36.82 38.27 1q48 h ILE 114 CO -0.04 0.04 -0.10 0.50 -3.07 0.00 0.00 178.15 175.49 1q48 h LYS 115 N 0.23 -0.27 -1.26 2.19 3.11 -1.58 -1.89 116.57 117.11 1q48 h LYS 115 Ca 0.47 0.02 0.43 0.00 -2.81 0.00 0.00 60.65 58.76 1q48 h LYS 115 Cb 1.45 0.06 -0.12 0.00 -1.00 0.00 0.00 32.23 32.62 1q48 h LYS 115 CO -0.12 -0.18 0.82 0.00 -2.81 0.00 0.00 179.45 177.16 1q48 n ALA 116 N -2.66 1.24 0.01 5.00 0.00 -0.91 -0.89 120.51 122.29 1q48 n ALA 116 Ca -0.03 0.75 -0.01 0.00 0.00 0.00 0.00 53.44 54.15 1q48 n ALA 116 Cb 0.11 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 1q48 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q48 h ALA 117 N 1.36 -0.13 -1.46 0.00 0.00 -1.42 -2.74 119.26 114.88 1q48 h ALA 117 Ca 0.78 -0.01 0.42 0.00 0.00 0.00 0.00 54.91 56.10 1q48 h ALA 117 Cb 2.57 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 20.32 1q48 h ALA 117 CO -0.38 -0.12 1.19 -0.89 0.00 0.00 0.00 179.25 179.05 1q48 n ILE 118 N -3.05 0.00 -0.04 0.00 5.41 -0.07 0.10 119.36 121.71 1q48 n ILE 118 Ca -0.01 1.24 -0.10 0.00 1.00 0.00 0.00 62.75 64.88 1q48 n ILE 118 Cb 0.02 -2.11 -0.09 0.00 -0.71 0.00 0.00 39.64 36.75 1q48 n ILE 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1q48 h ALA 119 N 0.73 -0.04 -0.80 -1.39 0.00 -1.11 -0.61 119.26 116.04 1q48 h ALA 119 Ca 0.69 -0.33 0.17 0.00 0.00 0.00 0.00 54.91 55.45 1q48 h ALA 119 Cb 3.08 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 20.77 1q48 h ALA 119 CO -0.01 -0.08 0.30 -0.44 0.00 0.00 0.00 179.25 179.02 1q48 h ASP 120 N -0.94 0.22 0.18 0.00 5.19 0.10 0.13 116.42 121.31 1q48 h ASP 120 Ca -0.00 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1q48 h ASP 120 Cb 0.67 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1q48 h ASP 120 CO 0.01 0.04 -0.09 0.22 -3.12 0.00 0.00 179.24 176.30 1q48 h TYR 121 N 0.39 -0.23 -1.47 4.55 3.20 -1.49 -3.23 116.97 118.69 1q48 h TYR 121 Ca 0.46 -0.01 0.45 0.00 3.14 0.00 0.00 58.73 62.77 1q48 h TYR 121 Cb 0.78 0.07 -0.10 0.00 1.54 0.00 0.00 36.73 39.03 1q48 h TYR 121 CO -0.18 -0.07 1.00 -0.22 -1.64 0.00 0.00 178.16 177.04 1q48 h LYS 122 N -1.05 0.07 -0.04 1.82 1.63 -0.83 1.89 116.57 120.06 1q48 h LYS 122 Ca -0.02 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1q48 h LYS 122 Cb 0.25 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1q48 h LYS 122 CO 0.04 0.04 0.22 0.00 -3.45 0.00 0.00 179.45 176.30 1q48 h ALA 123 N 1.40 1.31 -0.33 5.00 0.00 -0.77 0.33 119.26 126.21 1q48 h ALA 123 Ca 0.79 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.61 1q48 h ALA 123 Cb 2.79 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 20.52 1q48 h ALA 123 CO -0.22 -0.24 0.00 1.63 0.00 0.00 0.00 179.25 180.42 1q48 n LYS 124 N -3.09 2.47 -2.71 0.00 5.02 0.64 -4.07 118.16 116.43 1q48 n LYS 124 Ca -0.02 -2.98 -0.04 0.00 -2.02 0.00 0.00 58.31 53.25 1q48 n LYS 124 Cb 0.29 -1.85 0.10 0.00 -0.02 0.00 0.00 35.03 33.55 1q48 n LYS 124 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1q48 n GLN 125 N -0.78 1.35 0.00 1.97 0.00 0.11 -4.88 117.38 115.15 1q48 n GLN 125 Ca 0.28 -2.00 0.00 0.00 -0.00 0.00 0.00 57.00 55.28 1q48 n GLN 125 Cb 0.99 -0.23 0.00 0.00 0.00 0.00 0.00 30.24 31.00 1q48 n GLN 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1q48 n GLY 126 N -0.95 0.53 0.02 1.69 0.00 -1.16 -4.94 105.19 100.39 1q48 n GLY 126 Ca -0.06 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1q48 n GLY 126 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q48 n LEU 127 N 0.00 0.61 -3.82 0.99 7.94 -1.26 -4.98 117.00 116.49 1q48 n LEU 127 Ca 0.00 -0.12 -0.10 0.00 -1.11 0.00 0.00 56.01 54.68 1q48 n LEU 127 Cb 0.00 -0.07 -0.05 0.00 0.53 0.00 0.00 43.42 43.83 1q48 n LEU 127 CO 0.00 0.08 0.17 -1.83 -1.11 0.00 0.00 177.39 174.71 1q48 s GLU 128 N -3.19 1.31 -0.36 1.96 -1.05 -1.26 -5.07 118.70 111.04 1q48 s GLU 128 Ca 0.03 -0.97 0.06 0.00 -0.15 0.00 0.00 54.97 53.94 1q48 s GLU 128 Cb 0.15 0.47 0.25 0.00 -0.44 0.00 0.00 34.13 34.56 1q48 s GLU 128 CO 0.83 -0.53 1.23 -2.39 0.95 0.00 0.00 175.26 175.34 1q48 n HIS 129 N -0.30 -1.58 -4.22 4.83 1.44 -1.26 -4.33 115.22 109.80 1q48 n HIS 129 Ca -0.09 -1.40 -0.19 0.00 -2.01 0.00 0.00 57.72 54.03 1q48 n HIS 129 Cb 0.63 1.42 -0.16 0.00 0.12 0.00 0.00 29.99 31.99 1q48 n HIS 129 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 1q48 s HIS 130 N 0.13 0.76 -0.31 -1.40 -3.43 -1.26 -5.08 115.29 104.70 1q48 s HIS 130 Ca 0.14 -0.20 -0.12 0.00 -0.80 0.00 0.00 55.06 54.08 1q48 s HIS 130 Cb 0.26 -0.62 0.20 0.00 -1.43 0.00 0.00 32.58 30.98 1q48 s HIS 130 CO -0.06 -0.15 1.14 -3.38 -2.00 0.00 0.00 174.74 170.29 1q48 s HIS 131 N 0.62 -0.10 0.00 0.38 -3.43 -1.26 -5.08 115.29 106.42 1q48 s HIS 131 Ca -0.09 0.00 0.00 0.00 -0.80 0.00 0.00 55.06 54.18 1q48 s HIS 131 Cb -0.12 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.05 1q48 s HIS 131 CO 0.00 -0.07 0.46 0.72 -2.00 0.00 0.00 174.74 173.85 1q48 n HIS 132 N 3.28 0.00 -0.69 0.38 8.25 -1.26 -4.85 115.22 120.33 1q48 n HIS 132 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1q48 n HIS 132 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 1q48 n HIS 132 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q48 n HIS 133 N -0.91 0.00 -0.88 4.41 -0.00 -1.26 -5.33 115.22 111.25 1q48 n HIS 133 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1q48 n HIS 133 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1q48 n HIS 133 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92