#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 3.31 0.00 -5.12 0.00 -1.26 -4.96 121.76 113.73 1q48 s ALA 2 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1q48 s ALA 2 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1q48 s ALA 2 CO 0.00 0.30 0.00 0.66 0.00 0.00 0.00 175.76 176.72 1q48 n TYR 3 N -0.45 0.00 -0.03 0.00 4.01 -1.26 -4.70 117.16 114.73 1q48 n TYR 3 Ca 0.04 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.66 1q48 n TYR 3 Cb 0.53 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.50 1q48 n TYR 3 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1q48 h SER 4 N 0.00 0.16 0.00 7.72 0.87 -2.07 -3.43 113.55 116.80 1q48 h SER 4 Ca 0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1q48 h SER 4 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1q48 h SER 4 CO 0.00 0.37 0.00 -0.62 -0.53 0.00 0.00 176.83 176.05 1q48 n GLU 5 N -4.86 0.00 -3.25 2.24 1.02 -1.26 -5.04 120.64 109.49 1q48 n GLU 5 Ca -0.06 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.96 1q48 n GLU 5 Cb 0.16 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.53 1q48 n GLU 5 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1q48 s LYS 6 N 0.00 0.77 -0.12 3.49 -2.85 -1.26 -5.02 119.74 114.75 1q48 s LYS 6 Ca 0.00 -0.85 -0.11 0.00 -1.00 0.00 0.00 55.97 54.01 1q48 s LYS 6 Cb 0.00 -0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 35.22 1q48 s LYS 6 CO 0.00 -1.23 -0.23 1.33 0.10 0.00 0.00 175.35 175.32 1q48 n VAL 7 N 3.99 1.28 -2.27 1.79 0.24 -1.26 -5.10 118.33 117.01 1q48 n VAL 7 Ca 0.14 0.08 -0.00 0.00 -2.04 0.00 0.00 64.34 62.52 1q48 n VAL 7 Cb 0.50 -1.98 -0.00 0.00 -1.47 0.00 0.00 33.84 30.88 1q48 n VAL 7 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1q48 n ILE 8 N -4.03 -9.54 -0.11 1.34 -0.00 -1.26 -4.99 119.36 100.77 1q48 n ILE 8 Ca -0.18 2.25 0.00 0.00 -0.00 0.00 0.00 62.75 64.83 1q48 n ILE 8 Cb 0.47 -4.77 0.00 0.00 -0.00 0.00 0.00 39.64 35.34 1q48 n ILE 8 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1q48 n ASP 9 N 1.90 0.00 0.00 4.38 5.68 -1.26 -5.03 116.55 122.22 1q48 n ASP 9 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1q48 n ASP 9 Cb 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 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 0.00 -4.04 2.11 1.44 -1.26 -4.81 115.22 108.66 1q48 n HIS 10 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1q48 n HIS 10 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 1q48 n HIS 10 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1q48 n TYR 11 N 0.00 -1.52 -2.06 -1.40 9.36 -1.26 -4.84 117.16 115.43 1q48 n TYR 11 Ca 0.00 0.53 -0.39 0.00 3.32 0.00 0.00 57.90 61.36 1q48 n TYR 11 Cb 0.00 -3.24 -0.01 0.00 -0.63 0.00 0.00 39.34 35.47 1q48 n TYR 11 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 1q48 s GLU 12 N -6.88 3.97 0.49 2.98 1.03 -1.26 -4.99 118.70 114.04 1q48 s GLU 12 Ca 0.17 2.14 -0.13 0.00 0.03 0.00 0.00 54.97 57.18 1q48 s GLU 12 Cb -0.08 -2.76 -0.06 0.00 -0.80 0.00 0.00 34.13 30.43 1q48 s GLU 12 CO 0.93 -0.48 0.91 -0.80 -1.33 0.00 0.00 175.26 174.48 1q48 s ASN 13 N -0.75 6.49 0.31 0.83 0.01 -1.26 -5.03 114.94 115.55 1q48 s ASN 13 Ca 0.57 1.35 -0.29 0.00 -0.71 0.00 0.00 52.86 53.78 1q48 s ASN 13 Cb -0.38 -2.42 -0.10 0.00 0.41 0.00 0.00 41.25 38.76 1q48 s ASN 13 CO 0.49 -0.57 1.19 -2.16 -1.51 0.00 0.00 177.10 174.54 1q48 s PRO 14 N -4.24 4.48 0.43 -0.60 0.04 -1.26 -5.06 135.00 128.81 1q48 s PRO 14 Ca 0.55 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.64 1q48 s PRO 14 Cb -0.10 -3.11 0.07 0.00 0.04 0.00 0.00 34.50 31.40 1q48 s PRO 14 CO 0.36 0.01 0.60 0.54 0.04 0.00 0.00 177.00 178.55 1q48 n ARG 15 N 0.95 0.71 0.01 4.56 1.74 -1.26 -5.03 116.66 118.33 1q48 n ARG 15 Ca -0.00 -2.34 0.00 0.00 -0.77 0.00 0.00 57.85 54.73 1q48 n ARG 15 Cb 0.44 -0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.70 1q48 n ARG 15 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1q48 n ASN 16 N -2.49 -0.12 -4.63 0.55 6.94 -1.26 -5.10 115.26 109.16 1q48 n ASN 16 Ca 0.12 0.03 -0.40 0.00 -0.02 0.00 0.00 54.58 54.32 1q48 n ASN 16 Cb 0.45 0.43 -0.07 0.00 -2.36 0.00 0.00 39.78 38.23 1q48 n ASN 16 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1q48 s VAL 17 N -2.00 5.07 0.00 3.53 -7.23 -1.26 -5.00 120.40 113.51 1q48 s VAL 17 Ca 0.00 0.92 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 1q48 s VAL 17 Cb 0.00 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1q48 s VAL 17 CO 0.00 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1q48 n GLY 18 N 4.27 0.91 3.45 2.32 0.00 -1.26 -5.00 105.19 109.88 1q48 n GLY 18 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1q48 n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q48 n SER 19 N 0.00 -5.84 -4.71 1.61 3.41 -1.26 -4.87 113.62 101.96 1q48 n SER 19 Ca 0.00 -0.24 -0.31 0.00 -0.26 0.00 0.00 58.87 58.06 1q48 n SER 19 Cb 0.00 -2.42 0.14 0.00 -0.26 0.00 0.00 64.21 61.67 1q48 n SER 19 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1q48 s LEU 20 N -3.15 2.78 1.05 1.04 1.43 -1.26 -4.96 118.68 115.60 1q48 s LEU 20 Ca 0.25 1.96 -0.17 0.00 -1.03 0.00 0.00 54.13 55.14 1q48 s LEU 20 Cb -0.03 -4.44 0.11 0.00 0.03 0.00 0.00 46.19 41.86 1q48 s LEU 20 CO 0.86 -2.70 0.03 0.47 0.23 0.00 0.00 176.35 175.24 1q48 n ASP 21 N -3.96 -2.77 -0.38 2.29 8.00 -1.26 -4.75 116.55 113.72 1q48 n ASP 21 Ca 0.10 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1q48 n ASP 21 Cb 0.53 -0.81 0.02 0.00 -0.02 0.00 0.00 41.12 40.84 1q48 n ASP 21 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1q48 n LYS 22 N -1.49 1.16 0.03 -1.24 5.02 -1.26 -3.45 118.16 116.93 1q48 n LYS 22 Ca 0.03 -0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.30 1q48 n LYS 22 Cb 0.49 -1.34 0.42 0.00 -0.02 0.00 0.00 35.03 34.58 1q48 n LYS 22 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1q48 n LYS 23 N -0.13 0.11 -3.60 1.97 4.81 -1.26 -4.83 118.16 115.23 1q48 n LYS 23 Ca 0.01 0.07 -0.26 0.00 -0.87 0.00 0.00 58.31 57.26 1q48 n LYS 23 Cb 0.20 -1.60 -0.02 0.00 0.02 0.00 0.00 35.03 33.62 1q48 n LYS 23 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1q48 s ASP 24 N -3.56 6.36 -0.03 3.14 1.01 -1.22 -4.98 116.67 117.38 1q48 s ASP 24 Ca 0.11 0.42 0.13 0.00 0.71 0.00 0.00 52.55 53.92 1q48 s ASP 24 Cb 0.16 -2.02 0.42 0.00 1.01 0.00 0.00 42.92 42.50 1q48 s ASP 24 CO 0.61 -0.13 1.32 -0.24 0.21 0.00 0.00 175.17 176.94 1q48 n SER 25 N -1.07 2.76 -0.54 0.27 2.88 -1.26 -3.81 113.62 112.85 1q48 n SER 25 Ca -0.05 -2.13 0.09 0.00 -1.33 0.00 0.00 58.87 55.45 1q48 n SER 25 Cb 0.55 -0.37 0.21 0.00 -0.75 0.00 0.00 64.21 63.84 1q48 n SER 25 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1q48 n ASN 26 N 0.72 3.23 -3.55 -3.46 6.94 -1.26 -4.82 115.26 113.06 1q48 n ASN 26 Ca 0.16 -3.05 -0.29 0.00 -0.02 0.00 0.00 54.58 51.38 1q48 n ASN 26 Cb 0.49 -0.49 -0.15 0.00 -2.36 0.00 0.00 39.78 37.26 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 -2.85 0.03 -0.23 3.53 1.01 -1.25 -2.15 120.40 118.49 1q48 s VAL 27 Ca 0.38 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 1q48 s VAL 27 Cb 0.31 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1q48 s VAL 27 CO 0.06 -0.74 0.78 -0.83 0.00 0.00 0.00 175.10 174.37 1q48 s GLY 28 N 2.00 1.85 0.12 4.51 0.00 -1.16 -4.80 107.32 109.83 1q48 s GLY 28 Ca 0.10 -0.17 -0.27 0.00 0.00 0.00 0.00 44.72 44.38 1q48 s GLY 28 CO -0.34 1.68 0.83 -1.59 0.00 0.00 0.00 173.10 173.69 1q48 s THR 29 N 2.60 4.50 -0.50 0.90 2.01 -1.26 -2.44 115.64 121.45 1q48 s THR 29 Ca 0.33 1.80 0.03 0.00 0.31 0.00 0.00 61.69 64.17 1q48 s THR 29 Cb -0.16 -4.19 0.15 0.00 0.01 0.00 0.00 72.50 68.31 1q48 s THR 29 CO 0.09 0.41 0.32 -0.83 -0.69 0.00 0.00 174.62 173.92 1q48 s GLY 30 N -0.47 1.91 -0.47 4.40 0.00 -1.13 -3.96 107.32 107.60 1q48 s GLY 30 Ca 0.40 -2.89 -0.19 0.00 0.00 0.00 0.00 44.72 42.04 1q48 s GLY 30 CO 0.26 1.53 0.57 1.06 0.00 0.00 0.00 173.10 176.53 1q48 s MET 31 N -0.16 3.13 0.25 2.90 -1.94 -1.26 -1.89 119.30 120.33 1q48 s MET 31 Ca 0.22 -0.80 0.01 0.00 -1.71 0.00 0.00 55.69 53.42 1q48 s MET 31 Cb -0.14 -4.05 -0.05 0.00 2.01 0.00 0.00 34.83 32.61 1q48 s MET 31 CO -0.08 -1.09 0.12 0.14 -0.01 0.00 0.00 175.02 174.10 1q48 s VAL 32 N 2.50 0.37 0.08 -6.03 -7.23 -0.64 -5.04 120.40 104.41 1q48 s VAL 32 Ca 0.15 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 1q48 s VAL 32 Cb -0.18 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.20 1q48 s VAL 32 CO 0.13 0.00 0.31 0.61 -0.31 0.00 0.00 175.10 175.84 1q48 n GLY 33 N -0.44 1.25 2.81 2.32 0.00 -1.26 -0.77 105.19 109.11 1q48 n GLY 33 Ca 0.01 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.34 2.85 -0.21 4.61 0.00 -0.18 -4.94 121.76 122.54 1q48 s ALA 34 Ca 0.07 -3.09 0.07 0.00 0.00 0.00 0.00 51.96 49.01 1q48 s ALA 34 Cb -0.01 -2.02 0.38 0.00 0.00 0.00 0.00 23.12 21.47 1q48 s ALA 34 CO 0.02 -2.05 1.05 -2.30 0.00 0.00 0.00 175.76 172.48 1q48 n PRO 35 N 3.00 0.05 -0.22 0.00 -0.02 -1.26 -1.57 135.00 134.98 1q48 n PRO 35 Ca 0.11 0.44 -0.04 0.00 -2.02 0.00 0.00 63.50 61.99 1q48 n PRO 35 Cb 0.35 -1.95 0.06 0.00 -0.02 0.00 0.00 33.50 31.94 1q48 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q48 h ALA 36 N 1.09 0.82 0.00 3.55 0.00 -1.97 -3.36 119.26 119.39 1q48 h ALA 36 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1q48 h ALA 36 Cb 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1q48 h ALA 36 CO 0.00 0.15 -0.99 0.00 0.00 0.00 0.00 179.25 178.41 1q48 n GLY 38 N 3.42 0.98 3.57 0.00 0.00 -0.61 -5.11 105.19 107.44 1q48 n GLY 38 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.49 6.38 -0.10 1.61 1.01 -1.20 -4.92 116.67 117.96 1q48 s ASP 39 Ca 0.00 0.14 -0.18 0.00 0.71 0.00 0.00 52.55 53.22 1q48 s ASP 39 Cb 0.00 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 1q48 s ASP 39 CO 0.00 -0.48 0.48 -0.69 0.21 0.00 0.00 175.17 174.69 1q48 s VAL 40 N 2.49 5.15 -0.04 -1.27 1.01 -1.26 -1.01 120.40 125.47 1q48 s VAL 40 Ca 0.21 0.97 0.01 0.00 0.00 0.00 0.00 61.98 63.17 1q48 s VAL 40 Cb -0.15 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1q48 s VAL 40 CO 0.13 0.35 -0.05 -0.32 0.00 0.00 0.00 175.10 175.22 1q48 s MET 41 N 0.42 0.77 -0.07 2.72 1.75 0.05 -4.16 119.30 120.78 1q48 s MET 41 Ca 0.26 -0.12 0.03 0.00 -1.25 0.00 0.00 55.69 54.61 1q48 s MET 41 Cb -0.15 -0.77 0.00 0.00 2.84 0.00 0.00 34.83 36.75 1q48 s MET 41 CO 0.11 -0.04 -0.17 -1.14 -0.65 0.00 0.00 175.02 173.13 1q48 s GLN 42 N 0.72 2.09 -0.17 4.11 0.74 -0.94 -1.62 119.66 124.59 1q48 s GLN 42 Ca -0.10 -0.61 -0.04 0.00 0.05 0.00 0.00 55.36 54.67 1q48 s GLN 42 Cb -0.13 -1.70 0.07 0.00 1.10 0.00 0.00 33.01 32.36 1q48 s GLN 42 CO 0.00 0.15 0.16 -1.17 -0.55 0.00 0.00 175.29 173.88 1q48 s LEU 43 N 0.35 0.06 -0.04 3.68 0.20 -0.79 -1.47 118.68 120.68 1q48 s LEU 43 Ca -0.12 -0.26 -0.02 0.00 0.69 0.00 0.00 54.13 54.42 1q48 s LEU 43 Cb -0.15 0.14 -0.04 0.00 -0.43 0.00 0.00 46.19 45.71 1q48 s LEU 43 CO 0.05 -0.32 0.10 -1.10 -0.29 0.00 0.00 176.35 174.78 1q48 s GLN 44 N 2.25 3.18 0.04 1.98 -0.21 -0.63 -2.82 119.66 123.46 1q48 s GLN 44 Ca 0.05 -0.39 0.02 0.00 0.02 0.00 0.00 55.36 55.06 1q48 s GLN 44 Cb -0.15 -2.95 -0.04 0.00 1.00 0.00 0.00 33.01 30.87 1q48 s GLN 44 CO -0.10 0.68 0.04 0.96 -2.12 0.00 0.00 175.29 174.75 1q48 s ILE 45 N -1.15 4.33 -0.20 1.08 -4.36 -1.02 -1.54 121.20 118.34 1q48 s ILE 45 Ca 0.21 -0.70 0.01 0.00 -0.26 0.00 0.00 60.65 59.91 1q48 s ILE 45 Cb -0.12 -3.01 0.03 0.00 1.25 0.00 0.00 42.46 40.60 1q48 s ILE 45 CO 0.12 0.24 -0.17 -0.75 0.24 0.00 0.00 174.94 174.62 1q48 s LYS 46 N -1.99 2.86 -0.10 0.37 2.36 -0.56 -2.99 119.74 119.68 1q48 s LYS 46 Ca 0.24 -0.93 0.00 0.00 -2.55 0.00 0.00 55.97 52.74 1q48 s LYS 46 Cb -0.12 -2.66 -0.02 0.00 -1.05 0.00 0.00 37.83 33.98 1q48 s LYS 46 CO 0.16 -0.28 -0.11 0.08 1.55 0.00 0.00 175.35 176.75 1q48 s VAL 47 N 1.26 3.28 0.00 4.02 1.01 -0.91 -0.86 120.40 128.20 1q48 s VAL 47 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1q48 s VAL 47 Cb -0.14 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1q48 s VAL 47 CO -0.11 0.55 0.00 0.47 0.00 0.00 0.00 175.10 176.01 1q48 n ASP 48 N 3.02 0.00 -2.53 3.32 8.00 -0.76 -4.78 116.55 122.82 1q48 n ASP 48 Ca -0.18 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.30 1q48 n ASP 48 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 1q48 n ASP 48 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1q48 n ASP 49 N -0.36 0.78 -1.61 -2.24 9.92 -1.15 -3.94 116.55 117.95 1q48 n ASP 49 Ca 0.00 -1.70 -0.05 0.00 -0.53 0.00 0.00 54.79 52.51 1q48 n ASP 49 Cb 0.00 -0.26 0.02 0.00 -0.64 0.00 0.00 41.12 40.24 1q48 n ASP 49 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1q48 n ASN 50 N 3.22 -2.23 0.00 -2.24 3.02 -1.26 -2.95 115.26 112.82 1q48 n ASN 50 Ca 0.07 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1q48 n ASN 50 Cb 0.11 -1.77 0.00 0.00 -0.61 0.00 0.00 39.78 37.51 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 -1.01 2.49 3.92 7.41 0.00 -1.25 -5.00 105.19 111.74 1q48 n GLY 51 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.05 4.26 -0.21 -0.61 -1.09 -1.15 -4.64 121.20 114.70 1q48 s ILE 52 Ca 0.00 0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.15 1q48 s ILE 52 Cb 0.00 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1q48 s ILE 52 CO 0.00 -0.62 1.07 -0.63 -1.23 0.00 0.00 174.94 173.53 1q48 s ILE 53 N -2.82 4.63 0.00 2.92 1.01 -1.03 -1.83 121.20 124.08 1q48 s ILE 53 Ca 0.50 1.97 0.07 0.00 0.00 0.00 0.00 60.65 63.18 1q48 s ILE 53 Cb -0.10 -4.27 -0.24 0.00 0.01 0.00 0.00 42.46 37.86 1q48 s ILE 53 CO 0.44 -0.16 0.84 -0.08 0.00 0.00 0.00 174.94 175.98 1q48 h GLU 54 N 7.53 0.07 -1.37 2.79 4.81 -1.33 -1.95 114.58 125.12 1q48 h GLU 54 Ca -0.21 -0.12 0.24 0.00 -0.13 0.00 0.00 59.36 59.14 1q48 h GLU 54 Cb 1.07 0.05 -0.21 0.00 0.63 0.00 0.00 28.75 30.29 1q48 h GLU 54 CO 0.97 0.80 0.83 0.16 -0.73 0.00 0.00 179.01 181.04 1q48 s ASP 55 N -6.50 -0.13 -0.01 1.04 -4.77 -1.23 -4.75 116.67 100.32 1q48 s ASP 55 Ca -0.05 0.05 0.03 0.00 -3.30 0.00 0.00 52.55 49.28 1q48 s ASP 55 Cb 0.08 0.13 -0.01 0.00 -1.09 0.00 0.00 42.92 42.03 1q48 s ASP 55 CO 0.83 -0.19 -0.12 0.00 0.70 0.00 0.00 175.17 176.39 1q48 s ALA 56 N -1.99 0.99 -0.29 2.11 0.00 -1.26 -1.50 121.76 119.81 1q48 s ALA 56 Ca 0.08 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 1q48 s ALA 56 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1q48 s ALA 56 CO -0.05 0.23 0.15 0.21 0.00 0.00 0.00 175.76 176.30 1q48 s LYS 57 N -0.19 3.57 0.36 0.00 2.47 -0.59 -4.98 119.74 120.38 1q48 s LYS 57 Ca 0.03 -0.56 0.07 0.00 -1.56 0.00 0.00 55.97 53.95 1q48 s LYS 57 Cb -0.06 -3.56 -0.02 0.00 -1.46 0.00 0.00 37.83 32.74 1q48 s LYS 57 CO -0.00 -0.31 0.39 -0.59 0.16 0.00 0.00 175.35 174.99 1q48 s PHE 58 N 1.66 2.92 -0.34 4.03 -0.71 -1.26 -1.60 117.98 122.68 1q48 s PHE 58 Ca 0.06 -0.32 -0.01 0.00 -1.04 0.00 0.00 56.93 55.62 1q48 s PHE 58 Cb -0.16 -1.98 0.19 0.00 -1.21 0.00 0.00 43.02 39.86 1q48 s PHE 58 CO 0.07 0.02 0.81 0.21 -1.34 0.00 0.00 175.22 174.99 1q48 s LYS 59 N -4.11 0.47 -0.04 1.99 2.20 -0.54 -4.96 119.74 114.76 1q48 s LYS 59 Ca 0.45 0.01 0.04 0.00 -0.36 0.00 0.00 55.97 56.11 1q48 s LYS 59 Cb -0.07 0.10 -0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1q48 s LYS 59 CO 0.29 -0.74 -0.15 -0.08 -0.36 0.00 0.00 175.35 174.31 1q48 s THR 60 N 2.25 1.24 -0.14 3.43 -1.32 -1.26 -2.20 115.64 117.63 1q48 s THR 60 Ca 0.16 -0.62 -0.13 0.00 -1.21 0.00 0.00 61.69 59.90 1q48 s THR 60 Cb -0.03 -1.08 0.04 0.00 -1.51 0.00 0.00 72.50 69.93 1q48 s THR 60 CO -0.15 0.36 0.38 -0.47 -2.21 0.00 0.00 174.62 172.53 1q48 s TYR 61 N 0.06 -0.42 0.00 9.09 6.14 -1.26 -4.88 117.35 126.08 1q48 s TYR 61 Ca -0.03 1.03 0.00 0.00 0.64 0.00 0.00 57.07 58.71 1q48 s TYR 61 Cb -0.10 0.15 0.00 0.00 0.42 0.00 0.00 41.96 42.42 1q48 s TYR 61 CO 0.02 -0.21 0.00 0.41 0.64 0.00 0.00 175.55 176.41 1q48 n GLY 62 N 2.93 3.29 3.17 8.97 0.00 -1.26 -4.55 105.19 117.74 1q48 n GLY 62 Ca -0.13 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 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 4.22 2.00 0.47 0.00 0.00 -1.26 -2.84 105.19 107.78 1q48 n GLY 64 Ca -0.20 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1q48 n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q48 n SER 65 N 7.06 0.00 0.00 1.61 2.88 -1.26 -4.90 113.62 119.00 1q48 n SER 65 Ca 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1q48 n SER 65 Cb 0.32 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1q48 n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q48 n ALA 66 N -1.99 0.83 0.83 -1.46 0.00 -1.13 0.37 120.51 117.96 1q48 n ALA 66 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1q48 n ALA 66 Cb 0.00 -0.60 0.45 0.00 0.00 0.00 0.00 19.45 19.30 1q48 n ALA 66 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1q48 n ILE 67 N -0.92 0.23 -0.04 0.00 2.08 -1.26 -3.27 119.36 116.17 1q48 n ILE 67 Ca 0.00 -0.12 -0.16 0.00 0.56 0.00 0.00 62.75 63.02 1q48 n ILE 67 Cb 0.05 -0.38 -0.13 0.00 -0.75 0.00 0.00 39.64 38.43 1q48 n ILE 67 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1q48 h ALA 68 N 2.79 0.01 -0.72 -1.39 0.00 -0.49 -3.19 119.26 116.27 1q48 h ALA 68 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 1q48 h ALA 68 Cb 0.60 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1q48 h ALA 68 CO 0.00 0.19 0.25 1.03 0.00 0.00 0.00 179.25 180.72 1q48 h SER 69 N -0.82 1.03 -0.46 0.00 0.87 -1.73 -2.38 113.55 110.06 1q48 h SER 69 Ca -0.08 -0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.35 1q48 h SER 69 Cb 1.21 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 62.85 1q48 h SER 69 CO 0.02 0.95 0.14 -1.28 -0.53 0.00 0.00 176.83 176.13 1q48 h SER 70 N 1.05 0.12 -0.59 6.23 0.87 -1.67 -0.24 113.55 119.32 1q48 h SER 70 Ca 0.24 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 1q48 h SER 70 Cb 0.27 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1q48 h SER 70 CO -0.01 0.10 0.26 0.77 -0.53 0.00 0.00 176.83 177.42 1q48 h SER 71 N 0.30 0.78 0.16 6.23 4.64 -1.48 0.20 113.55 124.38 1q48 h SER 71 Ca 0.22 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1q48 h SER 71 Cb 0.24 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1q48 h SER 71 CO -0.24 0.71 -0.08 0.25 -0.87 0.00 0.00 176.83 176.60 1q48 h LEU 72 N 0.80 -0.18 -0.62 5.97 5.85 -0.83 -1.24 115.31 125.07 1q48 h LEU 72 Ca 0.20 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.05 1q48 h LEU 72 Cb 0.15 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.11 1q48 h LEU 72 CO -0.02 -0.12 -0.12 -0.29 -0.34 0.00 0.00 178.44 177.54 1q48 h ILE 73 N -0.23 0.40 -0.65 4.05 2.10 -1.12 0.17 117.51 122.24 1q48 h ILE 73 Ca -0.02 -0.01 0.13 0.00 1.08 0.00 0.00 64.86 66.04 1q48 h ILE 73 Cb 0.17 0.38 -0.10 0.00 -1.09 0.00 0.00 36.82 36.18 1q48 h ILE 73 CO 0.04 0.00 0.11 0.71 -1.08 0.00 0.00 178.15 177.94 1q48 h THR 74 N 0.02 0.57 0.00 2.19 1.35 -0.92 0.69 112.91 116.81 1q48 h THR 74 Ca 0.30 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1q48 h THR 74 Cb 0.47 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1q48 h THR 74 CO -0.61 0.04 0.00 -0.62 -0.25 0.00 0.00 175.52 174.08 1q48 n GLU 75 N -5.17 0.45 0.00 4.72 -0.58 0.20 -2.87 120.64 117.39 1q48 n GLU 75 Ca 0.10 0.01 0.11 0.00 -0.42 0.00 0.00 57.16 56.96 1q48 n GLU 75 Cb 0.37 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.71 1q48 n GLU 75 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1q48 n TRP 76 N -1.27 0.00 0.57 -0.32 7.02 0.22 -4.15 117.44 119.52 1q48 n TRP 76 Ca 0.14 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.69 1q48 n TRP 76 Cb 0.23 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.10 1q48 n TRP 76 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1q48 n VAL 77 N -0.36 0.00 -2.68 -0.99 0.24 -0.04 -4.73 118.33 109.78 1q48 n VAL 77 Ca 0.08 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.34 61.62 1q48 n VAL 77 Cb 0.43 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.89 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 -1.73 3.91 0.00 7.34 2.20 -1.20 -3.06 119.74 127.19 1q48 s LYS 78 Ca 0.09 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 1q48 s LYS 78 Cb 0.10 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1q48 s LYS 78 CO 0.36 -1.04 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 1q48 n GLY 79 N 4.28 0.47 3.95 5.54 0.00 -0.73 -5.04 105.19 113.65 1q48 n GLY 79 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.86 2.93 0.37 1.61 -0.14 -1.17 -4.78 119.74 117.69 1q48 s LYS 80 Ca 0.00 -0.40 0.07 0.00 -1.36 0.00 0.00 55.97 54.28 1q48 s LYS 80 Cb 0.00 -2.46 -0.00 0.00 -1.68 0.00 0.00 37.83 33.68 1q48 s LYS 80 CO 0.00 -0.47 0.49 -1.12 -0.76 0.00 0.00 175.35 173.49 1q48 s SER 81 N -4.28 5.82 0.58 2.83 0.01 -1.26 -2.46 113.70 114.93 1q48 s SER 81 Ca 0.51 -0.29 0.33 0.00 1.31 0.00 0.00 55.95 57.81 1q48 s SER 81 Cb -0.10 -1.01 1.78 0.00 0.21 0.00 0.00 66.02 66.90 1q48 s SER 81 CO 0.40 -0.55 2.19 -0.07 0.41 0.00 0.00 173.24 175.62 1q48 h LEU 82 N 0.82 0.00 -0.54 2.44 3.38 -1.98 -2.31 115.31 117.13 1q48 h LEU 82 Ca -0.44 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1q48 h LEU 82 Cb 1.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1q48 h LEU 82 CO 0.50 0.05 0.34 -0.08 0.09 0.00 0.00 178.44 179.34 1q48 h GLU 83 N 0.00 0.67 0.10 1.13 4.81 -1.93 -0.02 114.58 119.34 1q48 h GLU 83 Ca -0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1q48 h GLU 83 Cb 0.18 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1q48 h GLU 83 CO 0.01 0.44 -0.05 0.93 -0.73 0.00 0.00 179.01 179.61 1q48 h GLU 84 N 0.69 -0.13 -0.91 1.92 4.39 -1.82 -3.22 114.58 115.50 1q48 h GLU 84 Ca 0.20 0.01 0.26 0.00 0.34 0.00 0.00 59.36 60.18 1q48 h GLU 84 Cb -0.04 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1q48 h GLU 84 CO -0.06 0.00 0.93 0.00 -1.16 0.00 0.00 179.01 178.72 1q48 h ALA 85 N -0.93 2.76 -1.00 3.43 0.00 -1.49 0.64 119.26 122.67 1q48 h ALA 85 Ca -0.01 -0.03 -0.72 0.00 0.00 0.00 0.00 54.91 54.15 1q48 h ALA 85 Cb 0.19 0.07 -0.28 0.00 0.00 0.00 0.00 17.79 17.76 1q48 h ALA 85 CO 0.02 -1.40 0.94 0.41 0.00 0.00 0.00 179.25 179.23 1q48 n GLY 86 N -1.66 5.73 0.00 0.00 0.00 -0.02 -4.32 105.19 104.92 1q48 n GLY 86 Ca 0.20 -2.38 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.76 0.00 -0.96 4.61 0.00 0.22 -4.94 120.51 118.67 1q48 n ALA 87 Ca 0.59 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.65 1q48 n ALA 87 Cb 0.48 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.13 0.00 -4.09 0.00 -5.35 -0.79 -4.99 119.36 103.01 1q48 n ILE 88 Ca 0.00 -0.07 -0.11 0.00 -0.27 0.00 0.00 62.75 62.30 1q48 n ILE 88 Cb 0.00 -0.08 -0.11 0.00 -1.74 0.00 0.00 39.64 37.72 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 -2.18 0.62 -0.07 6.28 1.02 -1.26 -5.03 119.74 119.12 1q48 s LYS 89 Ca 0.39 -0.99 -0.26 0.00 0.02 0.00 0.00 55.97 55.13 1q48 s LYS 89 Cb 0.06 -0.16 -0.21 0.00 -0.52 0.00 0.00 37.83 37.00 1q48 s LYS 89 CO 0.67 -0.00 1.03 -2.95 -0.92 0.00 0.00 175.35 173.18 1q48 h ASN 90 N 3.85 -0.03 -0.75 2.83 -1.07 -1.95 -3.23 115.58 115.24 1q48 h ASN 90 Ca -0.35 -0.64 0.21 0.00 0.07 0.00 0.00 56.30 55.60 1q48 h ASN 90 Cb 1.18 0.01 -0.14 0.00 -2.07 0.00 0.00 38.32 37.30 1q48 h ASN 90 CO 0.52 0.65 0.04 -0.24 0.07 0.00 0.00 177.43 178.46 1q48 n SER 91 N -4.78 -0.07 0.02 6.14 2.88 -1.26 0.18 113.62 116.73 1q48 n SER 91 Ca -0.09 1.27 -0.12 0.00 -1.33 0.00 0.00 58.87 58.60 1q48 n SER 91 Cb 0.33 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 63.24 1q48 n SER 91 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1q48 h GLN 92 N 0.00 0.01 -0.76 -1.46 4.20 -1.99 -1.22 115.11 113.89 1q48 h GLN 92 Ca 0.47 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.29 1q48 h GLN 92 Cb 0.99 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.71 1q48 h GLN 92 CO -0.70 0.15 0.50 0.82 -0.67 0.00 0.00 178.83 178.93 1q48 h ILE 93 N -0.13 0.90 0.00 2.54 2.04 0.19 0.34 117.51 123.38 1q48 h ILE 93 Ca 0.00 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 1q48 h ILE 93 Cb 0.15 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1q48 h ILE 93 CO -0.00 0.11 -0.28 0.00 0.00 0.00 0.00 178.15 177.98 1q48 h ALA 94 N 1.63 0.97 0.06 1.87 0.00 -0.40 -2.37 119.26 121.02 1q48 h ALA 94 Ca 0.36 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1q48 h ALA 94 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1q48 h ALA 94 CO -0.13 0.35 -0.55 1.49 0.00 0.00 0.00 179.25 180.41 1q48 h GLU 95 N 0.00 0.13 0.00 0.00 4.57 0.75 0.84 114.58 120.87 1q48 h GLU 95 Ca -0.00 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 1q48 h GLU 95 Cb 0.86 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1q48 h GLU 95 CO 0.04 1.10 -0.11 1.49 -1.18 0.00 0.00 179.01 180.35 1q48 h GLU 96 N -0.71 0.00 0.00 1.92 4.81 -0.96 -2.71 114.58 116.93 1q48 h GLU 96 Ca -0.11 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.80 1q48 h GLU 96 Cb 1.33 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.65 1q48 h GLU 96 CO 0.04 0.11 -2.20 1.28 -0.73 0.00 0.00 179.01 177.50 1q48 n LEU 97 N -4.32 0.17 0.00 1.64 4.32 -0.89 -4.93 117.00 112.98 1q48 n LEU 97 Ca -0.03 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 1q48 n LEU 97 Cb 0.18 0.38 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1q48 n LEU 97 CO 0.35 0.42 0.00 1.21 -1.22 0.00 0.00 177.39 178.14 1q48 n GLU 98 N -2.75 0.00 -0.91 3.23 2.13 0.29 -4.89 120.64 117.74 1q48 n GLU 98 Ca -0.27 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.27 1q48 n GLU 98 Cb 1.07 -3.84 0.01 0.00 0.27 0.00 0.00 31.44 28.95 1q48 n GLU 98 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1q48 n LEU 99 N 0.00 -2.70 -4.28 4.31 -0.00 -1.25 -4.41 117.00 108.67 1q48 n LEU 99 Ca 0.00 0.47 -0.57 0.00 -0.00 0.00 0.00 56.01 55.91 1q48 n LEU 99 Cb 0.00 -0.62 -0.12 0.00 -0.00 0.00 0.00 43.42 42.68 1q48 n LEU 99 CO 0.00 -3.51 1.79 -2.65 -0.00 0.00 0.00 177.39 173.03 1q48 n PRO 100 N 1.11 0.03 0.00 1.47 -0.02 -1.26 -4.78 135.00 131.55 1q48 n PRO 100 Ca 0.06 0.01 0.02 0.00 -2.02 0.00 0.00 63.50 61.57 1q48 n PRO 100 Cb 0.34 -1.53 0.13 0.00 -0.02 0.00 0.00 33.50 32.43 1q48 n PRO 100 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1q48 n PRO 101 N 7.64 0.96 0.17 0.52 -0.04 -1.26 -3.83 135.00 139.15 1q48 n PRO 101 Ca 0.56 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 64.11 1q48 n PRO 101 Cb -0.02 -1.07 0.51 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.57 0.85 0.00 0.52 0.24 -1.26 -3.99 118.33 114.12 1q48 n VAL 102 Ca 0.03 0.75 0.00 0.00 -2.04 0.00 0.00 64.34 63.08 1q48 n VAL 102 Cb 0.02 -1.75 0.00 0.00 -1.47 0.00 0.00 33.84 30.64 1q48 n VAL 102 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1q48 n LYS 103 N -2.20 0.00 -0.84 7.34 5.02 -1.26 -5.00 118.16 121.23 1q48 n LYS 103 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1q48 n LYS 103 Cb 0.15 -0.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 1q48 n LYS 103 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1q48 n VAL 104 N -1.38 0.00 0.26 -0.18 0.31 -1.25 -4.76 118.33 111.32 1q48 n VAL 104 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 1q48 n VAL 104 Cb 0.00 -0.60 0.39 0.00 -0.91 0.00 0.00 33.84 32.72 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 0.00 0.00 3.52 2.07 -1.94 -1.45 115.15 117.35 1q48 h HIS 105 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1q48 h HIS 105 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 1q48 h HIS 105 CO 0.27 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.13 1q48 h SER 107 N 0.00 0.40 0.13 0.00 0.02 -1.80 0.48 113.55 112.78 1q48 h SER 107 Ca 0.00 0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1q48 h SER 107 Cb 0.00 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1q48 h SER 107 CO 0.00 -0.20 -0.15 0.40 -1.14 0.00 0.00 176.83 175.73 1q48 h ILE 108 N 0.19 0.66 -0.02 3.27 2.04 -1.38 -0.08 117.51 122.18 1q48 h ILE 108 Ca 0.78 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.64 1q48 h ILE 108 Cb 2.02 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1q48 h ILE 108 CO -0.58 0.00 0.04 -0.07 0.00 0.00 0.00 178.15 177.54 1q48 h LEU 109 N -0.32 0.00 0.30 1.44 4.07 0.38 -0.77 115.31 120.40 1q48 h LEU 109 Ca 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1q48 h LEU 109 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1q48 h LEU 109 CO -0.05 0.00 -0.14 0.00 -1.08 0.00 0.00 178.44 177.16 1q48 h ALA 110 N 1.94 -0.77 -1.00 1.53 0.00 -0.13 0.52 119.26 121.35 1q48 h ALA 110 Ca 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1q48 h ALA 110 Cb 0.10 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1q48 h ALA 110 CO -0.00 -0.74 0.66 1.49 0.00 0.00 0.00 179.25 180.66 1q48 h GLU 111 N -0.55 1.32 0.00 0.00 4.57 -1.28 -0.41 114.58 118.22 1q48 h GLU 111 Ca -0.04 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 1q48 h GLU 111 Cb 0.31 -0.30 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1q48 h GLU 111 CO 0.07 0.88 -0.13 -0.44 -1.18 0.00 0.00 179.01 178.20 1q48 h ASP 112 N 1.36 0.00 0.15 1.04 5.19 -1.18 -2.48 116.42 120.50 1q48 h ASP 112 Ca 0.37 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.77 1q48 h ASP 112 Cb -0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.36 1q48 h ASP 112 CO -0.08 0.13 -0.07 0.00 -3.12 0.00 0.00 179.24 176.10 1q48 h ALA 113 N 1.87 -0.38 -1.48 3.45 0.00 0.81 -2.53 119.26 121.00 1q48 h ALA 113 Ca -0.00 -0.04 0.45 0.00 0.00 0.00 0.00 54.91 55.32 1q48 h ALA 113 Cb 0.27 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 1q48 h ALA 113 CO 0.02 -0.37 1.02 0.97 0.00 0.00 0.00 179.25 180.89 1q48 h ILE 114 N -0.49 0.17 0.00 0.00 6.09 -1.40 -1.65 117.51 120.22 1q48 h ILE 114 Ca -0.02 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1q48 h ILE 114 Cb 0.15 0.10 0.00 0.00 0.47 0.00 0.00 36.82 37.54 1q48 h ILE 114 CO 0.03 0.01 0.00 1.17 -3.07 0.00 0.00 178.15 176.29 1q48 n LYS 115 N -4.36 0.00 -0.34 2.19 3.00 -0.94 -2.38 118.16 115.34 1q48 n LYS 115 Ca 0.37 0.34 0.30 0.00 -0.00 0.00 0.00 58.31 59.31 1q48 n LYS 115 Cb 1.54 -1.15 0.51 0.00 0.00 0.00 0.00 35.03 35.94 1q48 n LYS 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q48 n ALA 116 N -1.51 1.01 0.31 3.14 0.00 -0.70 0.24 120.51 123.00 1q48 n ALA 116 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 53.44 54.02 1q48 n ALA 116 Cb 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 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 1.31 -1.17 -0.67 0.00 0.00 -1.27 -1.86 119.26 115.61 1q48 h ALA 117 Ca 0.68 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.61 1q48 h ALA 117 Cb 2.11 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 20.18 1q48 h ALA 117 CO -0.42 -1.11 0.77 0.82 0.00 0.00 0.00 179.25 179.32 1q48 h ILE 118 N -0.82 0.20 0.61 0.00 2.04 0.17 0.76 117.51 120.47 1q48 h ILE 118 Ca -0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1q48 h ILE 118 Cb 0.61 0.37 0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1q48 h ILE 118 CO 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 178.15 177.99 1q48 h ALA 119 N 1.08 -0.81 -0.88 1.87 0.00 -0.67 -1.63 119.26 118.21 1q48 h ALA 119 Ca 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1q48 h ALA 119 Cb 1.86 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.92 1q48 h ALA 119 CO -0.00 -0.78 0.49 -0.44 0.00 0.00 0.00 179.25 178.51 1q48 h ASP 120 N -1.17 1.10 0.11 0.00 5.19 -0.52 -2.01 116.42 119.13 1q48 h ASP 120 Ca -0.08 -0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.25 1q48 h ASP 120 Cb 0.65 -0.28 -0.05 0.00 0.18 0.00 0.00 39.33 39.83 1q48 h ASP 120 CO 0.14 0.89 -0.43 0.22 -3.12 0.00 0.00 179.24 176.93 1q48 h TYR 121 N 1.24 -1.22 -0.43 4.55 3.20 -0.94 -1.86 116.97 121.52 1q48 h TYR 121 Ca 0.31 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.28 1q48 h TYR 121 Cb 0.03 0.52 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1q48 h TYR 121 CO 0.01 -0.53 0.08 -0.22 -1.64 0.00 0.00 178.16 175.86 1q48 h LYS 122 N -0.66 0.20 -0.21 1.82 3.64 -1.06 0.20 116.57 120.50 1q48 h LYS 122 Ca 0.02 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1q48 h LYS 122 Cb 0.69 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1q48 h LYS 122 CO -0.25 0.13 0.82 0.00 -2.27 0.00 0.00 179.45 177.88 1q48 h ALA 123 N 1.33 2.00 0.00 5.00 0.00 -0.59 0.10 119.26 127.11 1q48 h ALA 123 Ca 0.21 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.68 1q48 h ALA 123 Cb 0.27 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1q48 h ALA 123 CO -0.28 -0.93 -2.36 1.63 0.00 0.00 0.00 179.25 177.31 1q48 n LYS 124 N -2.82 0.59 -3.35 0.00 4.76 0.63 -4.70 118.16 113.26 1q48 n LYS 124 Ca 0.04 0.31 -0.28 0.00 -2.87 0.00 0.00 58.31 55.51 1q48 n LYS 124 Cb 0.90 -1.53 -0.07 0.00 -1.84 0.00 0.00 35.03 32.49 1q48 n LYS 124 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1q48 n GLN 125 N -4.24 2.69 0.00 1.97 7.27 0.13 -4.90 117.38 120.29 1q48 n GLN 125 Ca -0.51 -4.70 0.00 0.00 0.07 0.00 0.00 57.00 51.86 1q48 n GLN 125 Cb 0.86 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 31.25 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 0.74 0.30 0.00 1.69 0.00 0.02 -4.68 105.19 103.27 1q48 n GLY 126 Ca 0.30 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.35 1q48 n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q48 n LEU 127 N 0.00 0.07 -1.36 0.99 4.77 -1.26 -5.11 117.00 115.10 1q48 n LEU 127 Ca 0.00 -0.12 0.18 0.00 -0.03 0.00 0.00 56.01 56.03 1q48 n LEU 127 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1q48 n LEU 127 CO 0.00 0.02 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.13 1q48 n GLU 128 N -1.57 -2.79 -1.87 3.23 1.02 -1.26 -4.82 120.64 112.59 1q48 n GLU 128 Ca -0.01 1.95 -0.15 0.00 -0.02 0.00 0.00 57.16 58.94 1q48 n GLU 128 Cb 0.14 -3.39 -0.04 0.00 -0.02 0.00 0.00 31.44 28.14 1q48 n GLU 128 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1q48 n HIS 129 N -4.04 -0.36 -3.30 -0.32 8.25 -1.26 -4.96 115.22 109.24 1q48 n HIS 129 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 1q48 n HIS 129 Cb 0.66 -2.89 -0.06 0.00 1.12 0.00 0.00 29.99 28.82 1q48 n HIS 129 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1q48 s HIS 130 N -2.65 -1.03 -0.13 4.41 5.65 -1.26 -5.13 115.29 115.14 1q48 s HIS 130 Ca 0.00 0.80 -0.00 0.00 0.25 0.00 0.00 55.06 56.11 1q48 s HIS 130 Cb 0.00 0.05 0.03 0.00 -1.18 0.00 0.00 32.58 31.48 1q48 s HIS 130 CO 0.00 -0.84 -0.07 -1.58 -0.65 0.00 0.00 174.74 171.60 1q48 s HIS 131 N 2.60 1.56 0.34 3.88 2.46 -1.26 -5.08 115.29 119.78 1q48 s HIS 131 Ca 0.13 -0.88 -0.17 0.00 0.47 0.00 0.00 55.06 54.62 1q48 s HIS 131 Cb -0.14 -1.26 -0.09 0.00 -0.13 0.00 0.00 32.58 30.95 1q48 s HIS 131 CO -0.22 -0.56 0.78 -1.58 -2.47 0.00 0.00 174.74 170.70 1q48 s HIS 132 N 1.68 3.38 0.26 3.88 2.46 -1.26 -4.94 115.29 120.76 1q48 s HIS 132 Ca 0.03 1.31 -0.07 0.00 0.47 0.00 0.00 55.06 56.80 1q48 s HIS 132 Cb -0.14 -2.60 0.47 0.00 -0.13 0.00 0.00 32.58 30.18 1q48 s HIS 132 CO -0.08 0.08 1.59 0.45 -2.47 0.00 0.00 174.74 174.30 1q48 h HIS 133 N 2.28 -0.31 -0.01 3.88 3.86 -2.09 -3.57 115.15 119.21 1q48 h HIS 133 Ca -0.48 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 1q48 h HIS 133 Cb 1.18 0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.92 1q48 h HIS 133 CO 0.62 -0.36 0.00 0.72 0.86 0.00 0.00 177.93 179.77