#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q48 n ALA 2 N 0.00 -2.57 0.00 -5.12 0.00 -1.26 -4.83 120.51 106.73 1q48 n ALA 2 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1q48 n ALA 2 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1q48 n ALA 2 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1q48 n TYR 3 N -1.17 0.00 -3.81 0.00 4.19 -1.26 -5.05 117.16 110.06 1q48 n TYR 3 Ca -0.14 0.00 -0.34 0.00 3.31 0.00 0.00 57.90 60.73 1q48 n TYR 3 Cb 0.65 0.00 0.02 0.00 0.49 0.00 0.00 39.34 40.51 1q48 n TYR 3 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1q48 n SER 4 N -0.04 -4.96 0.00 2.98 2.88 -1.26 -4.93 113.62 108.28 1q48 n SER 4 Ca 0.00 -1.06 0.00 0.00 -1.33 0.00 0.00 58.87 56.48 1q48 n SER 4 Cb 0.00 -2.53 0.00 0.00 -0.75 0.00 0.00 64.21 60.93 1q48 n SER 4 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1q48 n GLU 5 N -4.06 0.00 -3.80 -1.46 2.13 -1.26 -5.03 120.64 107.16 1q48 n GLU 5 Ca -0.14 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.48 1q48 n GLU 5 Cb 0.59 -0.04 -0.02 0.00 0.27 0.00 0.00 31.44 32.24 1q48 n GLU 5 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1q48 s LYS 6 N -0.01 3.22 0.77 5.31 2.20 -1.26 -5.07 119.74 124.90 1q48 s LYS 6 Ca 0.00 -0.92 -0.15 0.00 -0.36 0.00 0.00 55.97 54.54 1q48 s LYS 6 Cb 0.00 -2.80 0.03 0.00 -1.51 0.00 0.00 37.83 33.55 1q48 s LYS 6 CO 0.00 0.28 0.94 1.33 -0.36 0.00 0.00 175.35 177.54 1q48 n VAL 7 N -1.46 2.20 -3.77 4.02 0.24 -1.26 -5.02 118.33 113.28 1q48 n VAL 7 Ca -0.05 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.82 1q48 n VAL 7 Cb 0.58 -1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 31.81 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 -1.98 0.07 0.00 1.34 1.01 -1.26 -5.05 121.20 115.34 1q48 s ILE 8 Ca 0.71 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1q48 s ILE 8 Cb -0.32 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1q48 s ILE 8 CO 0.53 -0.31 0.00 -0.90 0.00 0.00 0.00 174.94 174.26 1q48 n ASP 9 N 1.09 0.00 -1.57 3.58 5.68 -1.26 -5.01 116.55 119.05 1q48 n ASP 9 Ca -0.21 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 53.94 1q48 n ASP 9 Cb 0.57 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.65 1q48 n ASP 9 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q48 n HIS 10 N 0.00 1.87 -3.24 2.11 1.44 -1.26 -4.98 115.22 111.15 1q48 n HIS 10 Ca 0.00 -2.02 -0.10 0.00 -2.01 0.00 0.00 57.72 53.59 1q48 n HIS 10 Cb 0.00 -0.42 0.00 0.00 0.12 0.00 0.00 29.99 29.70 1q48 n HIS 10 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1q48 n TYR 11 N -0.88 -2.81 0.18 -1.40 4.01 -1.26 -4.88 117.16 110.12 1q48 n TYR 11 Ca 0.38 1.10 0.11 0.00 -0.16 0.00 0.00 57.90 59.33 1q48 n TYR 11 Cb 0.88 -3.63 0.11 0.00 -0.31 0.00 0.00 39.34 36.40 1q48 n TYR 11 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1q48 h GLU 12 N 0.60 0.00 -4.01 -0.72 4.81 -2.00 -3.41 114.58 109.85 1q48 h GLU 12 Ca -0.20 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.40 1q48 h GLU 12 Cb 1.13 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.11 1q48 h GLU 12 CO 0.30 0.02 -0.72 1.21 -0.73 0.00 0.00 179.01 179.09 1q48 s ASN 13 N -5.95 4.39 0.55 1.04 3.84 -1.26 -5.05 114.94 112.51 1q48 s ASN 13 Ca 0.05 -2.23 -0.18 0.00 0.21 0.00 0.00 52.86 50.70 1q48 s ASN 13 Cb 0.06 -1.38 -0.09 0.00 -0.55 0.00 0.00 41.25 39.29 1q48 s ASN 13 CO 0.71 -0.35 0.52 -2.65 -2.79 0.00 0.00 177.10 172.54 1q48 n PRO 14 N 4.13 0.52 -0.04 0.43 -0.02 -1.26 -4.97 135.00 133.78 1q48 n PRO 14 Ca 0.03 0.20 -0.05 0.00 -2.02 0.00 0.00 63.50 61.66 1q48 n PRO 14 Cb 0.40 -1.67 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 1q48 n PRO 14 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1q48 n ARG 15 N 0.04 0.31 -3.02 -0.52 0.00 -1.26 -4.83 116.66 107.38 1q48 n ARG 15 Ca 0.11 0.12 -0.44 0.00 -0.00 0.00 0.00 57.85 57.64 1q48 n ARG 15 Cb 0.47 -1.01 -0.03 0.00 -0.00 0.00 0.00 32.46 31.89 1q48 n ARG 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1q48 s ASN 16 N -5.58 6.57 -0.02 2.89 2.20 -1.26 -4.94 114.94 114.80 1q48 s ASN 16 Ca -0.17 -2.02 0.04 0.00 -0.94 0.00 0.00 52.86 49.76 1q48 s ASN 16 Cb 0.02 -2.36 -0.00 0.00 -2.00 0.00 0.00 41.25 36.91 1q48 s ASN 16 CO 0.25 -1.01 -0.13 0.54 -2.94 0.00 0.00 177.10 173.82 1q48 s VAL 17 N 2.32 1.05 -0.04 3.54 0.11 -1.26 -4.97 120.40 121.14 1q48 s VAL 17 Ca 0.27 -0.53 -0.02 0.00 -2.93 0.00 0.00 61.98 58.77 1q48 s VAL 17 Cb -0.09 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1q48 s VAL 17 CO -0.06 0.31 0.04 0.61 -3.33 0.00 0.00 175.10 172.66 1q48 n GLY 18 N 3.06 -3.34 7.00 6.54 0.00 -1.26 -4.58 105.19 112.61 1q48 n GLY 18 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.29 0.00 -4.36 1.61 2.88 -1.26 -4.38 113.62 108.39 1q48 n SER 19 Ca -0.06 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.15 1q48 n SER 19 Cb 0.10 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.41 1q48 n SER 19 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1q48 s LEU 20 N 0.00 2.51 -0.04 2.46 2.01 -1.26 -4.92 118.68 119.45 1q48 s LEU 20 Ca 0.00 -0.36 -0.03 0.00 0.01 0.00 0.00 54.13 53.75 1q48 s LEU 20 Cb 0.00 -1.52 0.01 0.00 0.01 0.00 0.00 46.19 44.69 1q48 s LEU 20 CO 0.00 0.23 0.07 -0.67 1.01 0.00 0.00 176.35 176.99 1q48 n ASP 21 N 3.06 -4.59 0.00 2.29 -0.08 -1.26 -4.72 116.55 111.25 1q48 n ASP 21 Ca -0.18 1.10 0.05 0.00 -1.51 0.00 0.00 54.79 54.25 1q48 n ASP 21 Cb 0.52 -3.80 0.30 0.00 2.34 0.00 0.00 41.12 40.49 1q48 n ASP 21 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1q48 n LYS 22 N 1.18 0.27 -0.16 -0.67 2.85 -1.26 -3.09 118.16 117.27 1q48 n LYS 22 Ca -0.11 0.07 0.28 0.00 -1.05 0.00 0.00 58.31 57.50 1q48 n LYS 22 Cb 0.17 -1.50 0.72 0.00 -0.65 0.00 0.00 35.03 33.77 1q48 n LYS 22 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1q48 h LYS 23 N 0.00 0.00 0.00 -1.58 3.64 -1.95 -3.46 116.57 113.22 1q48 h LYS 23 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1q48 h LYS 23 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1q48 h LYS 23 CO 0.00 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.93 1q48 n ASP 24 N -4.08 -1.34 0.00 4.20 9.92 -1.18 -4.60 116.55 119.47 1q48 n ASP 24 Ca 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 1q48 n ASP 24 Cb 0.99 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.47 1q48 n ASP 24 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1q48 n SER 25 N -3.71 0.00 -0.72 -2.24 7.64 -1.26 -4.16 113.62 109.16 1q48 n SER 25 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1q48 n SER 25 Cb 0.00 -2.23 -0.04 0.00 -1.01 0.00 0.00 64.21 60.94 1q48 n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1q48 n ASN 26 N 0.00 -0.51 -3.83 6.43 6.94 -1.26 -5.01 115.26 118.02 1q48 n ASN 26 Ca 0.00 -1.12 -0.30 0.00 -0.02 0.00 0.00 54.58 53.15 1q48 n ASN 26 Cb 0.00 0.15 -0.14 0.00 -2.36 0.00 0.00 39.78 37.43 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1q48 s VAL 27 N 0.00 1.82 0.17 3.53 1.01 -1.26 -2.47 120.40 123.20 1q48 s VAL 27 Ca 0.00 -2.60 -0.16 0.00 0.00 0.00 0.00 61.98 59.22 1q48 s VAL 27 Cb 0.00 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 1q48 s VAL 27 CO 0.00 -0.79 0.60 -0.83 0.00 0.00 0.00 175.10 174.08 1q48 s GLY 28 N 0.41 2.52 -0.04 4.51 0.00 -1.05 -4.61 107.32 109.06 1q48 s GLY 28 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.85 1q48 s GLY 28 CO -0.04 0.28 -0.03 -1.59 0.00 0.00 0.00 173.10 171.71 1q48 s THR 29 N -1.47 0.43 -0.03 0.90 2.01 -1.26 -2.11 115.64 114.11 1q48 s THR 29 Ca 0.39 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.37 1q48 s THR 29 Cb -0.16 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 1q48 s THR 29 CO 0.20 0.19 -0.18 -0.83 -0.69 0.00 0.00 174.62 173.31 1q48 s GLY 30 N 0.85 1.45 -0.04 4.40 0.00 0.46 -4.22 107.32 110.22 1q48 s GLY 30 Ca -0.11 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 1q48 s GLY 30 CO -0.00 -0.85 0.02 -0.29 0.00 0.00 0.00 173.10 171.98 1q48 s MET 31 N -0.77 0.22 0.21 2.90 1.75 -1.26 -1.04 119.30 121.31 1q48 s MET 31 Ca 0.11 0.18 -0.01 0.00 -1.25 0.00 0.00 55.69 54.72 1q48 s MET 31 Cb -0.10 -0.56 -0.04 0.00 2.84 0.00 0.00 34.83 36.97 1q48 s MET 31 CO 0.01 -0.23 0.15 0.14 -0.65 0.00 0.00 175.02 174.44 1q48 s VAL 32 N 1.54 0.00 -0.24 10.11 -7.23 -0.66 -5.01 120.40 118.91 1q48 s VAL 32 Ca -0.03 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 57.91 1q48 s VAL 32 Cb -0.13 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.41 1q48 s VAL 32 CO -0.03 0.00 0.79 -0.83 -0.31 0.00 0.00 175.10 174.72 1q48 s GLY 33 N -3.16 -0.45 -0.15 2.32 0.00 -1.26 -1.95 107.32 102.66 1q48 s GLY 33 Ca 0.38 2.07 -0.03 0.00 0.00 0.00 0.00 44.72 47.14 1q48 s GLY 33 CO 0.13 1.63 -0.06 0.00 0.00 0.00 0.00 173.10 174.79 1q48 s ALA 34 N 0.06 2.88 -0.02 3.20 0.00 0.46 -4.95 121.76 123.39 1q48 s ALA 34 Ca -0.01 -0.87 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 1q48 s ALA 34 Cb -0.04 -1.47 -0.26 0.00 0.00 0.00 0.00 23.12 21.35 1q48 s ALA 34 CO 0.01 0.18 1.02 -1.00 0.00 0.00 0.00 175.76 175.96 1q48 h PRO 35 N 6.81 0.33 -0.92 0.00 0.13 -1.94 0.14 132.00 136.56 1q48 h PRO 35 Ca -0.30 -0.41 0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1q48 h PRO 35 Cb 1.20 0.13 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 1q48 h PRO 35 CO 0.60 1.11 -0.39 0.00 -0.23 0.00 0.00 178.00 179.09 1q48 n ALA 36 N -2.60 -0.21 -1.44 -0.56 0.00 -1.26 -0.36 120.51 114.08 1q48 n ALA 36 Ca -0.11 0.89 -0.02 0.00 0.00 0.00 0.00 53.44 54.19 1q48 n ALA 36 Cb 0.68 -0.35 0.20 0.00 0.00 0.00 0.00 19.45 19.98 1q48 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q48 n GLY 38 N -1.10 -0.17 3.44 0.00 0.00 0.51 -4.84 105.19 103.03 1q48 n GLY 38 Ca 0.31 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 1q48 n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q48 s ASP 39 N -3.99 5.88 -0.19 1.61 1.01 0.41 -4.85 116.67 116.55 1q48 s ASP 39 Ca 0.06 -0.80 -0.10 0.00 0.71 0.00 0.00 52.55 52.41 1q48 s ASP 39 Cb -0.03 -2.08 -0.05 0.00 1.01 0.00 0.00 42.92 41.76 1q48 s ASP 39 CO 0.72 -0.35 0.16 0.54 0.21 0.00 0.00 175.17 176.44 1q48 s VAL 40 N 1.63 5.40 0.04 -1.27 0.11 -1.12 -0.40 120.40 124.79 1q48 s VAL 40 Ca 0.04 0.26 0.02 0.00 -2.93 0.00 0.00 61.98 59.36 1q48 s VAL 40 Cb -0.19 -3.49 -0.02 0.00 -1.53 0.00 0.00 36.38 31.15 1q48 s VAL 40 CO 0.08 0.45 -0.06 -0.32 -3.33 0.00 0.00 175.10 171.91 1q48 s MET 41 N 0.26 0.49 -0.11 1.54 0.00 -0.82 -2.42 119.30 118.24 1q48 s MET 41 Ca 0.10 -0.76 -0.02 0.00 0.00 0.00 0.00 55.69 55.01 1q48 s MET 41 Cb -0.11 -0.18 0.04 0.00 0.00 0.00 0.00 34.83 34.58 1q48 s MET 41 CO -0.00 0.02 0.03 -1.14 0.00 0.00 0.00 175.02 173.93 1q48 s GLN 42 N -1.72 0.42 -0.04 4.11 0.74 -0.98 -1.66 119.66 120.53 1q48 s GLN 42 Ca -0.10 0.01 -0.01 0.00 0.05 0.00 0.00 55.36 55.31 1q48 s GLN 42 Cb -0.09 -1.27 -0.04 0.00 1.10 0.00 0.00 33.01 32.72 1q48 s GLN 42 CO -0.00 -0.44 0.04 -1.17 -0.55 0.00 0.00 175.29 173.17 1q48 s LEU 43 N 2.01 3.75 0.14 3.68 0.20 -0.20 -2.04 118.68 126.21 1q48 s LEU 43 Ca 0.03 0.13 0.02 0.00 0.69 0.00 0.00 54.13 55.00 1q48 s LEU 43 Cb -0.14 -2.06 -0.04 0.00 -0.43 0.00 0.00 46.19 43.52 1q48 s LEU 43 CO -0.06 0.32 -0.03 -1.58 -0.29 0.00 0.00 176.35 174.71 1q48 s GLN 44 N -1.39 0.97 0.12 1.98 0.74 -0.96 0.17 119.66 121.30 1q48 s GLN 44 Ca 0.19 -1.44 -0.09 0.00 0.05 0.00 0.00 55.36 54.07 1q48 s GLN 44 Cb -0.12 -0.22 -0.00 0.00 1.10 0.00 0.00 33.01 33.77 1q48 s GLN 44 CO 0.09 -0.08 0.24 0.96 -0.55 0.00 0.00 175.29 175.95 1q48 s ILE 45 N -3.66 0.10 -0.02 -2.34 -4.36 -0.90 -3.33 121.20 106.71 1q48 s ILE 45 Ca 0.18 -1.26 0.04 0.00 -0.26 0.00 0.00 60.65 59.35 1q48 s ILE 45 Cb 0.06 -1.57 -0.01 0.00 1.25 0.00 0.00 42.46 42.19 1q48 s ILE 45 CO -0.00 -0.48 -0.13 -0.54 0.24 0.00 0.00 174.94 174.03 1q48 s LYS 46 N -3.91 1.18 0.17 0.37 -0.14 -0.94 -2.53 119.74 113.94 1q48 s LYS 46 Ca 0.11 -0.47 0.04 0.00 -1.36 0.00 0.00 55.97 54.29 1q48 s LYS 46 Cb 0.04 -1.11 -0.04 0.00 -1.68 0.00 0.00 37.83 35.05 1q48 s LYS 46 CO -0.06 0.25 0.21 0.08 -0.76 0.00 0.00 175.35 175.07 1q48 s VAL 47 N -0.17 4.84 -0.20 3.17 1.01 -1.03 -2.25 120.40 125.78 1q48 s VAL 47 Ca 0.02 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 1q48 s VAL 47 Cb -0.07 -3.51 -0.20 0.00 0.00 0.00 0.00 36.38 32.60 1q48 s VAL 47 CO 0.00 -0.14 0.29 -0.78 0.00 0.00 0.00 175.10 174.46 1q48 h ASP 48 N 2.13 0.01 0.00 3.32 3.58 -1.48 -3.43 116.42 120.56 1q48 h ASP 48 Ca -0.48 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.39 1q48 h ASP 48 Cb 1.20 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1q48 h ASP 48 CO 0.65 1.44 0.00 -0.90 -2.88 0.00 0.00 179.24 177.55 1q48 n ASP 49 N -4.43 0.00 -0.00 2.28 5.68 -1.26 -4.95 116.55 113.87 1q48 n ASP 49 Ca -0.29 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.09 1q48 n ASP 49 Cb 0.67 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.53 1q48 n ASP 49 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1q48 n ASN 50 N 0.00 0.83 0.00 -1.12 3.02 -1.26 -4.94 115.26 111.79 1q48 n ASN 50 Ca 0.00 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1q48 n ASN 50 Cb 0.00 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.33 1q48 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q48 n GLY 51 N 1.44 1.32 3.90 7.41 0.00 -1.26 -5.08 105.19 112.92 1q48 n GLY 51 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.90 5.21 -0.76 -0.61 -1.09 -1.26 -2.92 121.20 117.87 1q48 s ILE 52 Ca 0.00 -0.04 -0.20 0.00 -2.23 0.00 0.00 60.65 58.19 1q48 s ILE 52 Cb 0.00 -3.62 0.11 0.00 -1.58 0.00 0.00 42.46 37.37 1q48 s ILE 52 CO 0.00 0.07 0.95 -0.63 -1.23 0.00 0.00 174.94 174.10 1q48 s ILE 53 N -1.62 4.67 0.17 2.92 1.01 -0.82 -1.14 121.20 126.39 1q48 s ILE 53 Ca 0.39 -1.11 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 1q48 s ILE 53 Cb -0.12 -4.66 0.05 0.00 0.01 0.00 0.00 42.46 37.73 1q48 s ILE 53 CO 0.25 -1.37 1.79 1.05 0.00 0.00 0.00 174.94 176.65 1q48 h GLU 54 N 9.09 0.45 -4.68 2.79 4.11 -1.72 0.14 114.58 124.76 1q48 h GLU 54 Ca -0.09 -0.03 -0.27 0.00 0.07 0.00 0.00 59.36 59.04 1q48 h GLU 54 Cb 1.05 -0.10 -0.15 0.00 0.50 0.00 0.00 28.75 30.06 1q48 h GLU 54 CO 1.11 0.30 -0.63 0.34 0.07 0.00 0.00 179.01 180.20 1q48 s ASP 55 N -5.48 0.66 -0.29 3.06 -1.08 -1.25 -4.49 116.67 107.80 1q48 s ASP 55 Ca -0.13 -1.32 0.02 0.00 -0.52 0.00 0.00 52.55 50.60 1q48 s ASP 55 Cb 0.12 0.26 0.16 0.00 -1.46 0.00 0.00 42.92 42.00 1q48 s ASP 55 CO 0.73 -0.74 0.41 0.00 0.52 0.00 0.00 175.17 176.08 1q48 s ALA 56 N -3.94 -1.20 0.25 3.66 0.00 -1.26 -2.21 121.76 117.06 1q48 s ALA 56 Ca 0.33 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.58 1q48 s ALA 56 Cb 0.07 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 1q48 s ALA 56 CO 0.09 -1.73 0.38 0.21 0.00 0.00 0.00 175.76 174.71 1q48 s LYS 57 N 2.54 3.45 0.17 0.00 2.20 -1.21 -4.94 119.74 121.95 1q48 s LYS 57 Ca 0.10 -0.67 0.04 0.00 -0.36 0.00 0.00 55.97 55.07 1q48 s LYS 57 Cb -0.13 -2.86 -0.01 0.00 -1.51 0.00 0.00 37.83 33.32 1q48 s LYS 57 CO -0.30 0.39 0.15 1.97 -0.36 0.00 0.00 175.35 177.21 1q48 n PHE 58 N -1.39 -0.43 -2.76 4.03 -1.74 -1.26 -2.26 117.46 111.65 1q48 n PHE 58 Ca -0.08 -1.43 -0.02 0.00 -0.56 0.00 0.00 57.45 55.36 1q48 n PHE 58 Cb 0.57 0.16 0.02 0.00 1.52 0.00 0.00 39.48 41.74 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 -2.68 0.43 0.17 3.97 1.02 -0.87 -4.94 119.74 116.85 1q48 s LYS 59 Ca 0.20 -0.34 -0.08 0.00 0.02 0.00 0.00 55.97 55.77 1q48 s LYS 59 Cb 0.01 0.00 -0.06 0.00 -0.52 0.00 0.00 37.83 37.26 1q48 s LYS 59 CO 0.14 -0.55 0.47 0.95 -0.92 0.00 0.00 175.35 175.44 1q48 s THR 60 N 1.28 5.03 -0.18 2.17 -4.23 -1.26 -2.32 115.64 116.13 1q48 s THR 60 Ca 0.22 0.33 -0.20 0.00 -1.18 0.00 0.00 61.69 60.87 1q48 s THR 60 Cb 0.06 -3.63 0.05 0.00 1.34 0.00 0.00 72.50 70.33 1q48 s THR 60 CO -0.10 0.03 0.54 -0.47 -0.54 0.00 0.00 174.62 174.08 1q48 s TYR 61 N -1.68 -0.57 0.00 3.99 5.04 -1.01 -5.00 117.35 118.11 1q48 s TYR 61 Ca 0.43 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.40 1q48 s TYR 61 Cb -0.12 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.40 1q48 s TYR 61 CO 0.22 -0.32 0.00 0.41 -1.34 0.00 0.00 175.55 174.52 1q48 n GLY 62 N 2.52 2.33 3.75 8.97 0.00 -1.26 -2.79 105.19 118.70 1q48 n GLY 62 Ca -0.15 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 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 1.98 4.21 1.59 0.00 0.00 -1.26 -4.08 105.19 107.62 1q48 n GLY 64 Ca -0.02 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 0.71 0.00 0.15 1.61 7.64 -1.26 -4.85 113.62 117.62 1q48 n SER 65 Ca 0.41 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.34 1q48 n SER 65 Cb 0.58 0.29 0.27 0.00 -1.01 0.00 0.00 64.21 64.34 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 -2.29 0.50 0.28 -0.43 0.00 -1.26 0.50 120.51 117.80 1q48 n ALA 66 Ca 0.00 0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.68 1q48 n ALA 66 Cb 0.00 -0.63 0.77 0.00 0.00 0.00 0.00 19.45 19.60 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 0.35 0.13 0.00 2.04 -1.89 -2.60 117.51 115.54 1q48 h ILE 67 Ca 0.00 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1q48 h ILE 67 Cb 0.75 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1q48 h ILE 67 CO 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 178.15 178.17 1q48 h ALA 68 N 1.92 -0.58 -0.57 1.87 0.00 -0.34 -2.14 119.26 119.42 1q48 h ALA 68 Ca -0.00 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1q48 h ALA 68 Cb 0.36 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1q48 h ALA 68 CO 0.01 -0.56 -0.30 0.66 0.00 0.00 0.00 179.25 179.06 1q48 h SER 69 N -0.29 -1.05 -1.01 0.00 4.64 -1.73 1.03 113.55 115.15 1q48 h SER 69 Ca -0.02 0.22 0.27 0.00 -0.47 0.00 0.00 61.79 61.78 1q48 h SER 69 Cb 0.14 0.53 -0.07 0.00 -0.31 0.00 0.00 62.40 62.69 1q48 h SER 69 CO 0.03 -0.29 0.68 0.77 -0.87 0.00 0.00 176.83 177.15 1q48 h SER 70 N -0.15 0.26 -0.10 4.97 4.64 -1.54 0.53 113.55 122.16 1q48 h SER 70 Ca 0.24 0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.43 1q48 h SER 70 Cb 0.54 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1q48 h SER 70 CO -0.65 0.07 -0.54 -1.28 -0.87 0.00 0.00 176.83 173.55 1q48 h SER 71 N 0.24 0.76 0.14 4.97 0.87 0.18 -2.39 113.55 118.33 1q48 h SER 71 Ca 0.53 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1q48 h SER 71 Cb 1.62 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1q48 h SER 71 CO -0.16 1.15 -0.07 0.25 -0.53 0.00 0.00 176.83 177.48 1q48 h LEU 72 N 0.53 -0.16 -1.00 2.23 5.85 0.12 -2.67 115.31 120.22 1q48 h LEU 72 Ca 0.01 0.01 0.33 0.00 0.84 0.00 0.00 57.88 59.06 1q48 h LEU 72 Cb 1.11 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 42.03 1q48 h LEU 72 CO 0.11 -0.08 0.55 -0.29 -0.34 0.00 0.00 178.44 178.40 1q48 h ILE 73 N -0.27 0.28 -0.28 4.05 2.10 -1.40 0.37 117.51 122.37 1q48 h ILE 73 Ca -0.02 -0.10 0.03 0.00 1.08 0.00 0.00 64.86 65.85 1q48 h ILE 73 Cb 0.15 -0.05 -0.03 0.00 -1.09 0.00 0.00 36.82 35.80 1q48 h ILE 73 CO 0.03 0.05 0.08 0.71 -1.08 0.00 0.00 178.15 177.95 1q48 h THR 74 N 0.30 0.91 0.00 2.19 1.35 -1.40 0.10 112.91 116.37 1q48 h THR 74 Ca 0.74 -0.07 -0.03 0.00 -0.55 0.00 0.00 66.41 66.50 1q48 h THR 74 Cb 1.70 0.69 -0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1q48 h THR 74 CO -0.62 0.04 -0.14 -0.08 -0.25 0.00 0.00 175.52 174.46 1q48 h GLU 75 N 0.20 0.00 0.00 4.72 4.81 -0.10 -2.63 114.58 121.58 1q48 h GLU 75 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1q48 h GLU 75 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1q48 h GLU 75 CO -0.14 0.14 -0.05 1.87 -0.73 0.00 0.00 179.01 180.10 1q48 n TRP 76 N -3.16 0.29 -1.31 0.92 -0.00 0.88 -3.37 117.44 111.70 1q48 n TRP 76 Ca 0.03 0.08 0.08 0.00 -0.00 0.00 0.00 57.50 57.69 1q48 n TRP 76 Cb 0.55 -0.62 0.11 0.00 -0.00 0.00 0.00 31.31 31.35 1q48 n TRP 76 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1q48 n VAL 77 N -1.74 1.46 -2.95 5.87 0.24 -0.06 -4.83 118.33 116.32 1q48 n VAL 77 Ca 0.06 -1.78 -0.44 0.00 -2.04 0.00 0.00 64.34 60.15 1q48 n VAL 77 Cb 0.37 -0.06 -0.04 0.00 -1.47 0.00 0.00 33.84 32.64 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 -2.22 3.10 0.00 7.34 2.20 -1.00 -3.71 119.74 125.45 1q48 s LYS 78 Ca 0.25 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1q48 s LYS 78 Cb 0.22 -4.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 1q48 s LYS 78 CO 0.02 -1.72 0.00 0.41 -0.36 0.00 0.00 175.35 173.70 1q48 n GLY 79 N 5.31 0.37 3.91 5.54 0.00 0.50 -5.02 105.19 115.81 1q48 n GLY 79 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1q48 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q48 s LYS 80 N -0.97 1.86 0.25 1.61 -0.14 -1.24 -4.46 119.74 116.66 1q48 s LYS 80 Ca 0.00 -0.09 -0.10 0.00 -1.36 0.00 0.00 55.97 54.42 1q48 s LYS 80 Cb 0.00 -2.01 -0.07 0.00 -1.68 0.00 0.00 37.83 34.07 1q48 s LYS 80 CO 0.00 -1.59 0.58 -1.12 -0.76 0.00 0.00 175.35 172.46 1q48 s SER 81 N -4.60 6.62 0.39 2.83 0.01 -1.26 -1.95 113.70 115.73 1q48 s SER 81 Ca 0.63 0.95 0.19 0.00 1.31 0.00 0.00 55.95 59.04 1q48 s SER 81 Cb -0.10 -2.24 1.05 0.00 0.21 0.00 0.00 66.02 64.94 1q48 s SER 81 CO 0.48 -0.12 1.54 -0.07 0.41 0.00 0.00 173.24 175.48 1q48 h LEU 82 N 2.36 0.00 -0.96 2.44 3.38 -1.91 0.17 115.31 120.78 1q48 h LEU 82 Ca -0.47 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1q48 h LEU 82 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1q48 h LEU 82 CO 0.68 0.00 -0.33 -0.08 0.09 0.00 0.00 178.44 178.80 1q48 h GLU 83 N 0.00 0.35 0.04 1.13 4.81 -1.91 0.14 114.58 119.13 1q48 h GLU 83 Ca 0.00 -0.14 -0.24 0.00 -0.13 0.00 0.00 59.36 58.85 1q48 h GLU 83 Cb 0.41 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1q48 h GLU 83 CO 0.00 0.64 -1.28 0.93 -0.73 0.00 0.00 179.01 178.57 1q48 h GLU 84 N 0.30 0.08 0.00 1.92 4.39 -1.05 -3.32 114.58 116.89 1q48 h GLU 84 Ca 0.04 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1q48 h GLU 84 Cb 0.73 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1q48 h GLU 84 CO 0.06 1.07 0.00 0.00 -1.16 0.00 0.00 179.01 178.97 1q48 n ALA 85 N -3.21 1.91 -1.49 3.43 0.00 -1.04 -2.35 120.51 117.76 1q48 n ALA 85 Ca -0.29 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 52.98 1q48 n ALA 85 Cb 0.75 -1.27 0.17 0.00 0.00 0.00 0.00 19.45 19.11 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 0.10 5.09 0.00 0.00 0.00 0.47 -4.58 105.19 106.28 1q48 n GLY 86 Ca 0.08 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.08 0.78 -1.72 4.61 0.00 -0.99 -4.94 120.51 117.17 1q48 n ALA 87 Ca 0.38 0.00 -0.61 0.00 0.00 0.00 0.00 53.44 53.21 1q48 n ALA 87 Cb 1.06 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.42 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 -1.10 0.17 -2.72 0.00 -5.35 -1.05 -4.93 119.36 104.37 1q48 n ILE 88 Ca 0.00 -0.03 -0.23 0.00 -0.27 0.00 0.00 62.75 62.22 1q48 n ILE 88 Cb 0.00 -0.91 0.11 0.00 -1.74 0.00 0.00 39.64 37.10 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 3.13 1.73 0.19 6.28 1.02 -1.26 -4.76 119.74 126.06 1q48 s LYS 89 Ca 1.00 -1.35 0.25 0.00 0.02 0.00 0.00 55.97 55.89 1q48 s LYS 89 Cb -1.23 -2.41 0.90 0.00 -0.52 0.00 0.00 37.83 34.57 1q48 s LYS 89 CO 0.71 -1.39 1.75 0.27 -0.92 0.00 0.00 175.35 175.78 1q48 n ASN 90 N -2.73 0.63 0.04 2.83 6.94 -1.26 -3.31 115.26 118.39 1q48 n ASN 90 Ca 0.16 0.59 -0.21 0.00 -0.02 0.00 0.00 54.58 55.11 1q48 n ASN 90 Cb 0.61 -0.75 -0.14 0.00 -2.36 0.00 0.00 39.78 37.14 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 0.45 -0.72 0.53 0.87 -1.93 -2.10 113.55 110.65 1q48 h SER 91 Ca 0.00 -0.90 0.05 0.00 -1.23 0.00 0.00 61.79 59.70 1q48 h SER 91 Cb 0.56 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 1q48 h SER 91 CO 0.00 1.52 0.48 1.56 -0.53 0.00 0.00 176.83 179.85 1q48 h GLN 92 N -0.31 0.80 0.05 2.24 4.20 -1.94 -0.92 115.11 119.23 1q48 h GLN 92 Ca -0.22 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 58.21 1q48 h GLN 92 Cb 1.73 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 1q48 h GLN 92 CO 0.12 0.53 -1.05 0.82 -0.67 0.00 0.00 178.83 178.58 1q48 h ILE 93 N 0.83 1.52 0.00 2.54 2.04 -1.64 -1.84 117.51 120.96 1q48 h ILE 93 Ca 0.30 -2.89 -0.01 0.00 1.00 0.00 0.00 64.86 63.26 1q48 h ILE 93 Cb 0.14 2.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1q48 h ILE 93 CO -0.09 0.84 -0.03 0.00 0.00 0.00 0.00 178.15 178.87 1q48 h ALA 94 N 0.79 1.06 0.04 1.87 0.00 -0.48 -2.50 119.26 120.05 1q48 h ALA 94 Ca -0.08 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.46 1q48 h ALA 94 Cb 1.74 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 1q48 h ALA 94 CO 0.16 0.03 -2.10 0.39 0.00 0.00 0.00 179.25 177.74 1q48 n GLU 95 N -3.21 0.69 -0.16 0.00 1.02 -0.55 -1.87 120.64 116.56 1q48 n GLU 95 Ca -0.01 0.20 0.04 0.00 -0.02 0.00 0.00 57.16 57.37 1q48 n GLU 95 Cb 0.20 -1.66 0.34 0.00 -0.02 0.00 0.00 31.44 30.30 1q48 n GLU 95 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1q48 h GLU 96 N 0.02 0.77 -0.01 3.49 4.57 -0.91 -2.07 114.58 120.44 1q48 h GLU 96 Ca -0.44 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1q48 h GLU 96 Cb 2.04 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 30.46 1q48 h GLU 96 CO 0.04 0.51 -0.27 1.28 -1.18 0.00 0.00 179.01 179.39 1q48 n LEU 97 N -4.46 1.74 -3.98 1.64 4.77 -1.00 -4.99 117.00 110.72 1q48 n LEU 97 Ca 0.08 -0.81 -0.27 0.00 -0.03 0.00 0.00 56.01 54.99 1q48 n LEU 97 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1q48 n LEU 97 CO 0.35 0.33 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.86 1q48 n GLU 98 N 0.06 -2.79 -3.12 3.23 1.02 -0.78 -4.91 120.64 113.35 1q48 n GLU 98 Ca 0.07 0.36 -0.35 0.00 -0.02 0.00 0.00 57.16 57.22 1q48 n GLU 98 Cb 0.35 -4.33 -0.06 0.00 -0.02 0.00 0.00 31.44 27.38 1q48 n GLU 98 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1q48 s LEU 99 N -7.00 4.23 0.60 -4.62 0.05 -1.07 -5.03 118.68 105.84 1q48 s LEU 99 Ca 0.04 1.35 -0.18 0.00 0.05 0.00 0.00 54.13 55.40 1q48 s LEU 99 Cb -0.02 -3.78 -0.03 0.00 -2.05 0.00 0.00 46.19 40.31 1q48 s LEU 99 CO 0.90 -0.06 1.13 -2.16 -0.55 0.00 0.00 176.35 175.61 1q48 s PRO 100 N -2.39 3.07 0.00 1.48 0.04 -1.26 -4.89 135.00 131.06 1q48 s PRO 100 Ca 0.47 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1q48 s PRO 100 Cb -0.14 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1q48 s PRO 100 CO 0.19 -1.06 0.26 -0.35 0.04 0.00 0.00 177.00 176.08 1q48 n PRO 101 N -1.79 0.47 -0.44 0.56 -0.04 -1.26 -4.31 135.00 128.20 1q48 n PRO 101 Ca 0.11 0.00 0.36 0.00 -0.04 0.00 0.00 63.50 63.93 1q48 n PRO 101 Cb 0.51 -1.22 0.55 0.00 -0.04 0.00 0.00 33.50 33.30 1q48 n PRO 101 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1q48 n VAL 102 N 0.20 0.00 0.00 0.52 3.14 -1.26 -3.96 118.33 116.96 1q48 n VAL 102 Ca 0.00 1.11 0.00 0.00 -2.96 0.00 0.00 64.34 62.49 1q48 n VAL 102 Cb 0.11 -1.88 0.00 0.00 -1.06 0.00 0.00 33.84 31.00 1q48 n VAL 102 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1q48 n LYS 103 N -3.29 0.00 -0.82 1.45 3.00 -1.26 -4.98 118.16 112.26 1q48 n LYS 103 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 1q48 n LYS 103 Cb 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.50 1q48 n LYS 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1q48 n VAL 104 N -0.26 0.00 -0.10 3.15 0.31 -1.25 -4.83 118.33 115.35 1q48 n VAL 104 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1q48 n VAL 104 Cb 0.00 -0.33 0.17 0.00 -0.91 0.00 0.00 33.84 32.77 1q48 n VAL 104 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1q48 h HIS 105 N 0.00 0.81 0.54 3.52 2.07 -1.93 -2.29 115.15 117.88 1q48 h HIS 105 Ca 0.00 -0.11 -0.02 0.00 -2.85 0.00 0.00 60.37 57.39 1q48 h HIS 105 Cb 0.15 -0.22 -0.00 0.00 2.57 0.00 0.00 27.41 29.90 1q48 h HIS 105 CO 0.09 0.76 -0.32 0.00 -3.07 0.00 0.00 177.93 175.39 1q48 h SER 107 N -0.82 0.44 -0.88 0.00 0.87 -1.87 -0.66 113.55 110.64 1q48 h SER 107 Ca -0.07 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.62 1q48 h SER 107 Cb 0.66 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.54 1q48 h SER 107 CO 0.07 0.26 0.54 0.40 -0.53 0.00 0.00 176.83 177.58 1q48 h ILE 108 N 0.59 1.01 -0.18 2.23 2.04 -1.04 -0.00 117.51 122.15 1q48 h ILE 108 Ca 0.33 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1q48 h ILE 108 Cb 0.33 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1q48 h ILE 108 CO -0.25 0.17 -0.06 -0.07 0.00 0.00 0.00 178.15 177.94 1q48 h LEU 109 N 0.95 0.25 0.45 1.44 4.07 0.30 0.62 115.31 123.40 1q48 h LEU 109 Ca 0.39 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.29 1q48 h LEU 109 Cb 0.24 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1q48 h LEU 109 CO -0.20 0.36 -0.22 0.00 -1.08 0.00 0.00 178.44 177.30 1q48 h ALA 110 N 1.68 -0.87 -0.07 1.53 0.00 -0.35 -1.52 119.26 119.66 1q48 h ALA 110 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1q48 h ALA 110 Cb 0.29 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1q48 h ALA 110 CO 0.01 -0.83 0.00 1.49 0.00 0.00 0.00 179.25 179.93 1q48 h GLU 111 N -0.79 0.03 -0.52 0.00 4.22 -1.42 -1.01 114.58 115.09 1q48 h GLU 111 Ca -0.06 -0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.53 1q48 h GLU 111 Cb 0.46 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1q48 h GLU 111 CO 0.10 0.02 0.44 0.22 -2.18 0.00 0.00 179.01 177.61 1q48 h ASP 112 N 0.03 0.00 0.02 1.04 1.82 -0.94 -1.24 116.42 117.15 1q48 h ASP 112 Ca 0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1q48 h ASP 112 Cb 0.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1q48 h ASP 112 CO -0.05 0.00 -0.01 0.00 -1.61 0.00 0.00 179.24 177.57 1q48 h ALA 113 N 1.61 -0.04 -0.97 -0.78 0.00 -0.13 -1.68 119.26 117.26 1q48 h ALA 113 Ca 0.25 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.45 1q48 h ALA 113 Cb 1.12 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 1q48 h ALA 113 CO -0.00 -0.04 0.48 0.97 0.00 0.00 0.00 179.25 180.66 1q48 h ILE 114 N -0.57 0.30 -0.11 0.00 6.09 -1.07 0.63 117.51 122.78 1q48 h ILE 114 Ca -0.00 -0.10 -0.20 0.00 -1.37 0.00 0.00 64.86 63.18 1q48 h ILE 114 Cb 0.02 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.29 1q48 h ILE 114 CO 0.00 0.05 -0.75 0.11 -3.07 0.00 0.00 178.15 174.50 1q48 h LYS 115 N 0.30 0.58 -0.68 2.19 1.79 -1.35 -2.74 116.57 116.66 1q48 h LYS 115 Ca 0.69 -0.47 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 1q48 h LYS 115 Cb 1.53 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 32.24 1q48 h LYS 115 CO -0.62 1.10 0.40 0.00 -1.08 0.00 0.00 179.45 179.24 1q48 h ALA 116 N 0.77 1.42 0.56 3.86 0.00 0.12 -2.65 119.26 123.35 1q48 h ALA 116 Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1q48 h ALA 116 Cb 1.35 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1q48 h ALA 116 CO 0.14 0.49 -0.27 0.00 0.00 0.00 0.00 179.25 179.61 1q48 h ALA 117 N 1.50 -0.77 -0.93 0.00 0.00 -0.98 -2.48 119.26 115.61 1q48 h ALA 117 Ca 0.24 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.19 1q48 h ALA 117 Cb -0.02 0.29 -0.18 0.00 0.00 0.00 0.00 17.79 17.89 1q48 h ALA 117 CO -0.04 -0.72 -0.16 -0.89 0.00 0.00 0.00 179.25 177.43 1q48 n ILE 118 N -5.18 -0.39 -0.05 0.00 5.41 -1.04 0.14 119.36 118.24 1q48 n ILE 118 Ca -0.09 2.10 -0.09 0.00 1.00 0.00 0.00 62.75 65.67 1q48 n ILE 118 Cb 0.30 -2.95 -0.02 0.00 -0.71 0.00 0.00 39.64 36.25 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 1.86 0.25 0.09 -1.39 0.00 -1.45 0.16 119.26 118.78 1q48 h ALA 119 Ca 0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1q48 h ALA 119 Cb 0.81 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1q48 h ALA 119 CO -0.93 -0.33 -0.18 -0.44 0.00 0.00 0.00 179.25 177.37 1q48 h ASP 120 N 0.19 -0.51 -1.03 0.00 3.32 0.17 0.17 116.42 118.72 1q48 h ASP 120 Ca 0.10 0.05 0.29 0.00 0.02 0.00 0.00 57.03 57.48 1q48 h ASP 120 Cb 0.06 0.18 -0.13 0.00 0.22 0.00 0.00 39.33 39.66 1q48 h ASP 120 CO -0.09 -0.21 0.62 0.22 -1.72 0.00 0.00 179.24 178.06 1q48 h TYR 121 N -0.29 0.89 0.09 4.55 5.03 -1.19 0.21 116.97 126.26 1q48 h TYR 121 Ca -0.01 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 1q48 h TYR 121 Cb 0.27 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.30 1q48 h TYR 121 CO -0.26 -0.03 -0.06 -0.22 -1.32 0.00 0.00 178.16 176.27 1q48 h LYS 122 N 0.43 -0.15 0.00 1.82 3.64 0.45 0.33 116.57 123.09 1q48 h LYS 122 Ca 0.68 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.07 1q48 h LYS 122 Cb 1.52 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1q48 h LYS 122 CO -0.48 -0.10 0.00 0.00 -2.27 0.00 0.00 179.45 176.60 1q48 n ALA 123 N -2.19 1.29 -1.23 5.00 0.00 0.68 -2.21 120.51 121.85 1q48 n ALA 123 Ca -0.08 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1q48 n ALA 123 Cb 0.10 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 18.57 1q48 n ALA 123 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1q48 n LYS 124 N -1.32 2.46 0.00 0.00 5.02 0.11 -4.56 118.16 119.86 1q48 n LYS 124 Ca 0.01 -2.84 0.00 0.00 -2.02 0.00 0.00 58.31 53.46 1q48 n LYS 124 Cb 0.02 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 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 -0.57 0.00 0.00 1.97 7.27 -0.94 -4.55 117.38 120.56 1q48 n GLN 125 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.61 1q48 n GLN 125 Cb 0.63 -0.03 0.00 0.00 2.41 0.00 0.00 30.24 33.25 1q48 n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1q48 n GLY 126 N 3.55 -0.14 0.06 1.69 0.00 -1.26 -4.91 105.19 104.18 1q48 n GLY 126 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.09 0.06 0.18 0.99 7.94 -1.26 -1.19 117.00 121.63 1q48 n LEU 127 Ca 0.00 0.23 -0.14 0.00 -1.11 0.00 0.00 56.01 54.99 1q48 n LEU 127 Cb 0.00 -0.17 -0.07 0.00 0.53 0.00 0.00 43.42 43.71 1q48 n LEU 127 CO 0.00 -0.25 0.68 -0.08 -1.11 0.00 0.00 177.39 176.63 1q48 h GLU 128 N 0.00 -0.56 -5.35 1.96 4.22 -1.90 -3.48 114.58 109.47 1q48 h GLU 128 Ca 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.46 1q48 h GLU 128 Cb 0.84 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1q48 h GLU 128 CO 0.00 -0.37 -0.85 1.58 -2.18 0.00 0.00 179.01 177.19 1q48 n HIS 129 N -5.40 -3.48 -1.94 0.92 -0.00 -0.33 -4.93 115.22 100.06 1q48 n HIS 129 Ca -0.09 1.49 -0.33 0.00 -0.00 0.00 0.00 57.72 58.80 1q48 n HIS 129 Cb 0.30 -3.71 0.02 0.00 -0.00 0.00 0.00 29.99 26.61 1q48 n HIS 129 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1q48 s HIS 130 N -1.90 2.83 -0.34 1.57 3.76 -1.26 -5.01 115.29 114.94 1q48 s HIS 130 Ca 0.10 1.53 -0.07 0.00 -0.15 0.00 0.00 55.06 56.47 1q48 s HIS 130 Cb -0.02 -3.08 0.21 0.00 1.11 0.00 0.00 32.58 30.80 1q48 s HIS 130 CO 0.73 -1.35 1.09 -1.58 -0.85 0.00 0.00 174.74 172.77 1q48 s HIS 131 N -2.38 -0.34 1.01 1.40 5.04 -1.26 -5.16 115.29 113.60 1q48 s HIS 131 Ca 0.65 -0.11 -0.16 0.00 -1.54 0.00 0.00 55.06 53.90 1q48 s HIS 131 Cb -0.18 0.07 0.25 0.00 0.04 0.00 0.00 32.58 32.76 1q48 s HIS 131 CO 0.38 -0.27 0.57 1.58 -2.34 0.00 0.00 174.74 174.67 1q48 n HIS 132 N 2.66 -3.09 -4.29 3.88 -0.00 -1.26 -5.04 115.22 108.08 1q48 n HIS 132 Ca 0.11 -0.49 -0.17 0.00 0.46 0.00 0.00 57.72 57.64 1q48 n HIS 132 Cb 0.65 -0.93 -0.10 0.00 -0.12 0.00 0.00 29.99 29.49 1q48 n HIS 132 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1q48 s HIS 133 N -1.77 1.48 0.00 1.57 3.76 -1.26 -5.33 115.29 113.74 1q48 s HIS 133 Ca 0.44 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 1q48 s HIS 133 Cb -0.08 -0.72 0.00 0.00 1.11 0.00 0.00 32.58 32.89 1q48 s HIS 133 CO 0.37 0.21 0.00 -2.39 -0.85 0.00 0.00 174.74 172.09