#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 3.48 -0.02 -5.12 0.00 -1.26 -4.72 121.76 114.12 1q48 s ALA 2 Ca 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.05 1q48 s ALA 2 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1q48 s ALA 2 CO 0.00 -1.83 0.02 0.98 0.00 0.00 0.00 175.76 174.93 1q48 n TYR 3 N 5.64 -0.35 0.00 0.00 4.19 -1.26 -5.07 117.16 120.31 1q48 n TYR 3 Ca -0.10 0.20 0.00 0.00 3.31 0.00 0.00 57.90 61.31 1q48 n TYR 3 Cb 0.45 -1.69 0.00 0.00 0.49 0.00 0.00 39.34 38.58 1q48 n TYR 3 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1q48 n SER 4 N 0.12 0.00 -0.82 2.98 7.64 -1.26 -4.98 113.62 117.29 1q48 n SER 4 Ca -0.03 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.91 1q48 n SER 4 Cb 0.04 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.39 1q48 n SER 4 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1q48 n GLU 5 N -0.87 1.07 0.00 1.43 2.13 -1.26 -4.88 120.64 118.26 1q48 n GLU 5 Ca 0.00 -2.82 0.00 0.00 0.66 0.00 0.00 57.16 55.00 1q48 n GLU 5 Cb 0.00 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.59 1q48 n GLU 5 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1q48 n LYS 6 N -0.64 0.00 -0.29 5.31 5.02 -1.26 -4.88 118.16 121.42 1q48 n LYS 6 Ca 0.15 0.23 -0.26 0.00 -2.02 0.00 0.00 58.31 56.41 1q48 n LYS 6 Cb 0.82 -0.83 0.24 0.00 -0.02 0.00 0.00 35.03 35.24 1q48 n LYS 6 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1q48 n VAL 7 N -1.20 0.00 -3.35 -0.18 0.24 -1.26 -4.35 118.33 108.24 1q48 n VAL 7 Ca 0.00 -0.06 -0.27 0.00 -2.04 0.00 0.00 64.34 61.97 1q48 n VAL 7 Cb 0.00 -0.88 0.02 0.00 -1.47 0.00 0.00 33.84 31.51 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 -5.26 -6.10 0.00 1.34 5.41 -1.26 -4.95 119.36 108.53 1q48 n ILE 8 Ca 0.12 0.27 0.00 0.00 1.00 0.00 0.00 62.75 64.14 1q48 n ILE 8 Cb 0.50 -4.66 0.00 0.00 -0.71 0.00 0.00 39.64 34.78 1q48 n ILE 8 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1q48 n ASP 9 N -0.59 0.00 -0.04 4.38 9.92 -1.26 -5.04 116.55 123.92 1q48 n ASP 9 Ca -0.06 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.18 1q48 n ASP 9 Cb 0.62 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.09 1q48 n ASP 9 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1q48 n HIS 10 N 0.00 0.49 -1.49 1.24 -0.00 -1.26 -4.89 115.22 109.31 1q48 n HIS 10 Ca 0.00 0.21 -0.53 0.00 0.46 0.00 0.00 57.72 57.86 1q48 n HIS 10 Cb 0.00 -0.52 -0.05 0.00 -0.12 0.00 0.00 29.99 29.30 1q48 n HIS 10 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1q48 n TYR 11 N -3.46 0.45 -3.10 1.57 4.01 -1.26 -4.88 117.16 110.48 1q48 n TYR 11 Ca -0.04 0.94 -0.25 0.00 -0.16 0.00 0.00 57.90 58.39 1q48 n TYR 11 Cb 0.13 -2.10 -0.05 0.00 -0.31 0.00 0.00 39.34 37.02 1q48 n TYR 11 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1q48 n GLU 12 N 1.41 2.54 0.00 -0.72 0.00 -1.26 -4.86 120.64 117.76 1q48 n GLU 12 Ca 0.18 -4.47 0.00 0.00 0.00 0.00 0.00 57.16 52.87 1q48 n GLU 12 Cb 0.17 -2.09 0.00 0.00 0.00 0.00 0.00 31.44 29.53 1q48 n GLU 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1q48 n ASN 13 N 0.19 0.00 -1.26 -1.84 3.02 -1.26 -5.00 115.26 109.10 1q48 n ASN 13 Ca 0.29 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1q48 n ASN 13 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1q48 n ASN 13 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1q48 n PRO 14 N 0.00 0.00 -3.40 3.52 -0.02 -1.26 -4.56 135.00 129.27 1q48 n PRO 14 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 1q48 n PRO 14 Cb 0.00 -1.30 0.01 0.00 -0.02 0.00 0.00 33.50 32.20 1q48 n PRO 14 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1q48 n ARG 15 N 1.04 -1.42 -3.46 -0.52 1.74 -1.26 -5.00 116.66 107.78 1q48 n ARG 15 Ca 0.00 1.07 0.01 0.00 -0.77 0.00 0.00 57.85 58.16 1q48 n ARG 15 Cb 0.00 -4.41 -0.03 0.00 -1.02 0.00 0.00 32.46 27.00 1q48 n ARG 15 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1q48 s ASN 16 N -3.09 -1.11 0.02 0.55 2.20 -1.26 -5.07 114.94 107.18 1q48 s ASN 16 Ca 0.10 1.23 -0.07 0.00 -0.94 0.00 0.00 52.86 53.17 1q48 s ASN 16 Cb -0.03 2.14 -0.03 0.00 -2.00 0.00 0.00 41.25 41.33 1q48 s ASN 16 CO 0.81 -0.21 1.11 0.58 -2.94 0.00 0.00 177.10 176.46 1q48 h VAL 17 N 5.90 0.00 0.00 3.54 2.07 -2.00 -3.49 116.25 122.28 1q48 h VAL 17 Ca -0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1q48 h VAL 17 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1q48 h VAL 17 CO 0.13 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1q48 n GLY 18 N -1.11 3.25 1.10 2.17 0.00 -1.26 -5.12 105.19 104.21 1q48 n GLY 18 Ca -0.02 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.68 1q48 n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q48 n SER 19 N 0.00 -5.18 -4.54 1.61 7.64 -1.26 -4.19 113.62 107.71 1q48 n SER 19 Ca 0.00 0.76 -0.42 0.00 1.01 0.00 0.00 58.87 60.22 1q48 n SER 19 Cb 0.00 -3.58 -0.02 0.00 -1.01 0.00 0.00 64.21 59.59 1q48 n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1q48 s LEU 20 N -5.96 3.89 0.00 -3.43 1.43 -1.26 -4.39 118.68 108.96 1q48 s LEU 20 Ca 0.00 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.37 1q48 s LEU 20 Cb 0.00 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1q48 s LEU 20 CO 0.00 -1.36 0.00 -0.67 0.23 0.00 0.00 176.35 174.55 1q48 n ASP 21 N 8.28 0.00 0.00 2.29 2.03 -1.26 -4.25 116.55 123.64 1q48 n ASP 21 Ca 0.33 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1q48 n ASP 21 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1q48 n ASP 21 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1q48 n LYS 22 N 0.00 0.00 -2.56 -0.67 4.81 -1.26 -4.77 118.16 113.70 1q48 n LYS 22 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 1q48 n LYS 22 Cb 0.00 -2.28 0.02 0.00 0.02 0.00 0.00 35.03 32.79 1q48 n LYS 22 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1q48 n LYS 23 N -2.00 2.22 -4.33 1.64 5.02 -1.26 -4.84 118.16 114.61 1q48 n LYS 23 Ca 0.00 -3.82 -0.23 0.00 -2.02 0.00 0.00 58.31 52.24 1q48 n LYS 23 Cb 0.00 -1.72 -0.08 0.00 -0.02 0.00 0.00 35.03 33.21 1q48 n LYS 23 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1q48 s ASP 24 N -3.36 4.29 0.00 4.39 2.15 -1.26 -5.00 116.67 117.88 1q48 s ASP 24 Ca 0.37 -0.80 0.05 0.00 0.43 0.00 0.00 52.55 52.60 1q48 s ASP 24 Cb 0.42 -0.67 0.21 0.00 -0.30 0.00 0.00 42.92 42.58 1q48 s ASP 24 CO -0.06 -0.05 1.15 -0.24 -0.17 0.00 0.00 175.17 175.80 1q48 n SER 25 N -0.87 0.59 -0.00 -0.34 2.88 -1.26 -3.20 113.62 111.42 1q48 n SER 25 Ca -0.05 -1.94 0.01 0.00 -1.33 0.00 0.00 58.87 55.55 1q48 n SER 25 Cb 0.60 -0.07 -0.01 0.00 -0.75 0.00 0.00 64.21 63.98 1q48 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1q48 n ASN 26 N -0.21 1.78 -3.95 -3.46 4.13 -1.26 -4.89 115.26 107.40 1q48 n ASN 26 Ca 0.05 -0.33 -0.30 0.00 1.68 0.00 0.00 54.58 55.67 1q48 n ASN 26 Cb 0.10 1.02 -0.14 0.00 -1.54 0.00 0.00 39.78 39.22 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1q48 s VAL 27 N -1.47 2.33 0.22 2.41 1.01 -1.19 -2.29 120.40 121.42 1q48 s VAL 27 Ca 0.00 -2.84 -0.24 0.00 0.00 0.00 0.00 61.98 58.91 1q48 s VAL 27 Cb 0.01 -2.66 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 1q48 s VAL 27 CO 0.05 -0.73 0.80 -0.83 0.00 0.00 0.00 175.10 174.39 1q48 s GLY 28 N 0.26 2.79 0.25 4.51 0.00 -1.15 -4.37 107.32 109.62 1q48 s GLY 28 Ca 0.15 0.33 0.11 0.00 0.00 0.00 0.00 44.72 45.31 1q48 s GLY 28 CO -0.04 0.77 -0.20 -1.59 0.00 0.00 0.00 173.10 172.04 1q48 s THR 29 N -1.38 2.35 -0.12 0.90 2.01 -1.26 -2.34 115.64 115.80 1q48 s THR 29 Ca 0.41 -2.31 -0.23 0.00 0.31 0.00 0.00 61.69 59.88 1q48 s THR 29 Cb -0.20 -2.22 0.05 0.00 0.01 0.00 0.00 72.50 70.14 1q48 s THR 29 CO 0.24 -0.37 0.56 -0.83 -0.69 0.00 0.00 174.62 173.53 1q48 s GLY 30 N -3.32 -0.43 -0.12 4.40 0.00 -1.10 -3.79 107.32 102.97 1q48 s GLY 30 Ca 0.27 1.27 -0.04 0.00 0.00 0.00 0.00 44.72 46.22 1q48 s GLY 30 CO 0.13 1.00 0.23 -0.29 0.00 0.00 0.00 173.10 174.17 1q48 s MET 31 N -0.53 0.11 0.35 2.90 0.00 -1.26 -2.19 119.30 118.68 1q48 s MET 31 Ca -0.06 0.65 0.04 0.00 0.00 0.00 0.00 55.69 56.32 1q48 s MET 31 Cb -0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 34.83 34.54 1q48 s MET 31 CO 0.05 -0.32 0.05 0.14 0.00 0.00 0.00 175.02 174.94 1q48 s VAL 32 N 2.37 1.36 0.35 10.11 -7.23 -0.51 -5.02 120.40 121.83 1q48 s VAL 32 Ca 0.02 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.14 1q48 s VAL 32 Cb -0.12 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 34.01 1q48 s VAL 32 CO -0.08 0.00 0.54 -0.83 -0.31 0.00 0.00 175.10 174.43 1q48 s GLY 33 N -3.55 1.22 -0.49 2.32 0.00 -1.26 -1.25 107.32 104.30 1q48 s GLY 33 Ca 0.35 -1.33 0.06 0.00 0.00 0.00 0.00 44.72 43.80 1q48 s GLY 33 CO 0.16 -0.84 0.49 0.00 0.00 0.00 0.00 173.10 172.91 1q48 n ALA 34 N -0.55 3.02 -0.15 3.20 0.00 0.55 -4.95 120.51 121.64 1q48 n ALA 34 Ca -0.01 -3.71 0.27 0.00 0.00 0.00 0.00 53.44 49.99 1q48 n ALA 34 Cb 0.61 -0.84 0.57 0.00 0.00 0.00 0.00 19.45 19.79 1q48 n ALA 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1q48 h PRO 35 N 4.85 0.00 -0.77 0.00 0.11 -1.94 -1.20 132.00 133.05 1q48 h PRO 35 Ca 0.18 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.43 1q48 h PRO 35 Cb 0.83 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.80 1q48 h PRO 35 CO 0.53 0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 178.08 1q48 h ALA 36 N 0.89 0.38 0.00 -0.75 0.00 -1.96 -3.13 119.26 114.69 1q48 h ALA 36 Ca 0.42 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.57 1q48 h ALA 36 Cb 2.36 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 20.82 1q48 h ALA 36 CO -0.00 -0.48 -1.31 0.00 0.00 0.00 0.00 179.25 177.46 1q48 n GLY 38 N 2.40 0.81 3.59 0.00 0.00 -0.53 -5.12 105.19 106.35 1q48 n GLY 38 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.16 5.00 -0.10 1.61 2.15 -1.17 -4.95 116.67 118.05 1q48 s ASP 39 Ca 0.00 0.01 -0.01 0.00 0.43 0.00 0.00 52.55 52.98 1q48 s ASP 39 Cb 0.00 -1.57 -0.03 0.00 -0.30 0.00 0.00 42.92 41.02 1q48 s ASP 39 CO 0.00 0.28 -0.03 0.68 -0.17 0.00 0.00 175.17 175.94 1q48 s VAL 40 N -0.33 4.04 -0.03 1.11 -7.23 -1.26 -0.33 120.40 116.37 1q48 s VAL 40 Ca 0.06 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1q48 s VAL 40 Cb -0.12 -2.70 0.03 0.00 0.56 0.00 0.00 36.38 34.14 1q48 s VAL 40 CO 0.02 0.58 0.01 -0.32 -0.31 0.00 0.00 175.10 175.07 1q48 s MET 41 N -0.58 0.28 0.01 4.82 1.75 -0.38 -3.93 119.30 121.27 1q48 s MET 41 Ca 0.09 0.10 0.07 0.00 -1.25 0.00 0.00 55.69 54.70 1q48 s MET 41 Cb -0.12 -0.51 -0.03 0.00 2.84 0.00 0.00 34.83 37.02 1q48 s MET 41 CO 0.02 -0.16 -0.20 -1.14 -0.65 0.00 0.00 175.02 172.89 1q48 s GLN 42 N 1.16 2.11 -0.16 4.11 0.74 -1.02 -1.42 119.66 125.18 1q48 s GLN 42 Ca -0.08 -0.94 -0.06 0.00 0.05 0.00 0.00 55.36 54.33 1q48 s GLN 42 Cb -0.13 -2.16 0.08 0.00 1.10 0.00 0.00 33.01 31.90 1q48 s GLN 42 CO -0.02 0.56 0.34 -1.17 -0.55 0.00 0.00 175.29 174.45 1q48 s LEU 43 N -1.09 -0.41 0.20 3.68 2.96 -0.93 -2.49 118.68 120.60 1q48 s LEU 43 Ca 0.12 0.79 0.11 0.00 -0.22 0.00 0.00 54.13 54.93 1q48 s LEU 43 Cb -0.10 1.04 -0.04 0.00 0.50 0.00 0.00 46.19 47.58 1q48 s LEU 43 CO 0.02 -0.23 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.55 1q48 s GLN 44 N 2.39 1.77 -0.09 1.98 -0.21 -0.92 -2.71 119.66 121.87 1q48 s GLN 44 Ca -0.01 -1.47 0.01 0.00 0.02 0.00 0.00 55.36 53.92 1q48 s GLN 44 Cb -0.12 -1.96 0.02 0.00 1.00 0.00 0.00 33.01 31.95 1q48 s GLN 44 CO -0.11 0.40 -0.12 0.96 -2.12 0.00 0.00 175.29 174.30 1q48 s ILE 45 N -1.84 1.22 -0.35 1.08 -4.36 -0.99 -2.52 121.20 113.45 1q48 s ILE 45 Ca 0.24 -0.48 -0.13 0.00 -0.26 0.00 0.00 60.65 60.02 1q48 s ILE 45 Cb -0.08 -1.15 -0.01 0.00 1.25 0.00 0.00 42.46 42.47 1q48 s ILE 45 CO 0.13 0.39 0.25 -0.75 0.24 0.00 0.00 174.94 175.19 1q48 s LYS 46 N 1.08 3.43 -0.11 0.37 2.20 -0.96 -2.94 119.74 122.82 1q48 s LYS 46 Ca -0.06 -0.69 0.03 0.00 -0.36 0.00 0.00 55.97 54.89 1q48 s LYS 46 Cb -0.14 -3.83 0.01 0.00 -1.51 0.00 0.00 37.83 32.35 1q48 s LYS 46 CO -0.02 -0.48 -0.20 0.08 -0.36 0.00 0.00 175.35 174.37 1q48 s VAL 47 N 1.72 1.81 0.00 4.02 1.01 -0.97 -1.07 120.40 126.91 1q48 s VAL 47 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1q48 s VAL 47 Cb -0.18 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1q48 s VAL 47 CO 0.10 0.50 0.00 0.47 0.00 0.00 0.00 175.10 176.18 1q48 n ASP 48 N 3.87 0.00 -2.46 3.32 9.92 -0.92 -4.53 116.55 125.75 1q48 n ASP 48 Ca -0.20 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.05 1q48 n ASP 48 Cb 0.52 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.98 1q48 n ASP 48 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1q48 n ASP 49 N -0.80 0.69 -1.36 -2.24 9.92 -1.21 -3.97 116.55 117.58 1q48 n ASP 49 Ca 0.00 -1.65 -0.01 0.00 -0.53 0.00 0.00 54.79 52.60 1q48 n ASP 49 Cb 0.00 -0.20 0.01 0.00 -0.64 0.00 0.00 41.12 40.28 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 3.03 -2.14 -0.75 -2.24 3.02 -1.26 -3.53 115.26 111.38 1q48 n ASN 50 Ca 0.06 -0.05 -0.10 0.00 -0.03 0.00 0.00 54.58 54.46 1q48 n ASN 50 Cb 0.11 -0.84 -0.04 0.00 -0.61 0.00 0.00 39.78 38.40 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 -1.21 1.10 3.65 7.41 0.00 -1.25 -4.98 105.19 109.91 1q48 n GLY 51 Ca -0.01 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.26 4.48 -1.10 -0.61 -1.09 -1.23 -4.38 121.20 115.01 1q48 s ILE 52 Ca 0.00 -0.16 -0.26 0.00 -2.23 0.00 0.00 60.65 58.00 1q48 s ILE 52 Cb 0.00 -2.95 -0.19 0.00 -1.58 0.00 0.00 42.46 37.74 1q48 s ILE 52 CO 0.00 0.54 2.07 -0.63 -1.23 0.00 0.00 174.94 175.69 1q48 s ILE 53 N -0.26 3.17 0.63 2.92 1.01 -1.05 -2.15 121.20 125.46 1q48 s ILE 53 Ca 0.07 -0.28 0.25 0.00 0.00 0.00 0.00 60.65 60.69 1q48 s ILE 53 Cb -0.12 -4.13 0.30 0.00 0.01 0.00 0.00 42.46 38.52 1q48 s ILE 53 CO 0.02 -0.31 1.71 -0.08 0.00 0.00 0.00 174.94 176.28 1q48 h GLU 54 N 11.14 0.00 -2.07 2.79 4.81 -1.44 0.15 114.58 129.96 1q48 h GLU 54 Ca 0.07 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.44 1q48 h GLU 54 Cb 0.98 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.20 1q48 h GLU 54 CO 1.07 0.00 0.57 0.34 -0.73 0.00 0.00 179.01 180.26 1q48 s ASP 55 N -4.40 -0.31 -0.06 1.04 2.15 -1.14 -4.72 116.67 109.23 1q48 s ASP 55 Ca -0.03 0.02 0.04 0.00 0.43 0.00 0.00 52.55 53.01 1q48 s ASP 55 Cb 0.11 0.33 -0.00 0.00 -0.30 0.00 0.00 42.92 43.05 1q48 s ASP 55 CO 0.36 -0.52 -0.19 0.00 -0.17 0.00 0.00 175.17 174.65 1q48 s ALA 56 N -2.87 1.74 0.03 3.66 0.00 -1.26 -2.26 121.76 120.80 1q48 s ALA 56 Ca 0.06 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.31 1q48 s ALA 56 Cb -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1q48 s ALA 56 CO -0.08 0.29 -0.19 0.21 0.00 0.00 0.00 175.76 176.00 1q48 s LYS 57 N 0.10 2.06 0.22 0.00 2.20 -1.05 -5.00 119.74 118.27 1q48 s LYS 57 Ca -0.07 -0.98 -0.04 0.00 -0.36 0.00 0.00 55.97 54.52 1q48 s LYS 57 Cb -0.13 -2.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 1q48 s LYS 57 CO 0.04 0.54 0.25 -0.59 -0.36 0.00 0.00 175.35 175.23 1q48 s PHE 58 N -0.89 0.95 -0.31 4.03 -0.71 -1.26 -2.16 117.98 117.63 1q48 s PHE 58 Ca 0.14 -1.20 -0.07 0.00 -1.04 0.00 0.00 56.93 54.76 1q48 s PHE 58 Cb -0.10 -0.33 0.19 0.00 -1.21 0.00 0.00 43.02 41.56 1q48 s PHE 58 CO 0.04 -0.77 0.94 0.21 -1.34 0.00 0.00 175.22 174.31 1q48 s LYS 59 N -4.05 0.27 0.11 1.99 2.20 -1.04 -4.99 119.74 114.23 1q48 s LYS 59 Ca 0.34 0.11 0.10 0.00 -0.36 0.00 0.00 55.97 56.16 1q48 s LYS 59 Cb 0.04 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 1q48 s LYS 59 CO 0.12 -0.46 -0.25 0.95 -0.36 0.00 0.00 175.35 175.35 1q48 s THR 60 N 2.59 2.34 -0.06 3.43 -4.23 -1.26 -2.43 115.64 116.02 1q48 s THR 60 Ca 0.21 -1.62 -0.19 0.00 -1.18 0.00 0.00 61.69 58.90 1q48 s THR 60 Cb -0.02 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.85 1q48 s THR 60 CO -0.20 0.16 0.43 -0.47 -0.54 0.00 0.00 174.62 174.00 1q48 s TYR 61 N -1.01 -0.37 0.00 3.99 5.04 -1.25 -5.01 117.35 118.74 1q48 s TYR 61 Ca 0.14 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.45 1q48 s TYR 61 Cb -0.10 0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.40 1q48 s TYR 61 CO 0.06 -0.41 0.00 0.41 -1.34 0.00 0.00 175.55 174.26 1q48 n GLY 62 N 1.50 2.02 3.23 8.97 0.00 -1.26 -4.33 105.19 115.33 1q48 n GLY 62 Ca -0.19 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 4.44 -0.37 0.93 0.00 0.00 -1.26 0.47 105.19 109.41 1q48 n GLY 64 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.37 2.70 -0.60 1.61 7.64 -1.26 -3.79 113.62 118.56 1q48 n SER 65 Ca 0.00 -2.02 0.11 0.00 1.01 0.00 0.00 58.87 57.97 1q48 n SER 65 Cb 0.11 -0.34 0.02 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.94 3.22 -0.00 -0.43 0.00 0.18 -4.21 120.51 120.20 1q48 n ALA 66 Ca 0.17 -0.64 0.02 0.00 0.00 0.00 0.00 53.44 52.98 1q48 n ALA 66 Cb 0.43 -0.76 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 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 0.32 0.88 -0.17 0.00 -0.00 -1.25 -3.57 119.36 115.58 1q48 n ILE 67 Ca 0.10 -0.67 -0.01 0.00 -0.00 0.00 0.00 62.75 62.17 1q48 n ILE 67 Cb 0.48 -0.45 0.07 0.00 -0.00 0.00 0.00 39.64 39.75 1q48 n ILE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1q48 h ALA 68 N 1.53 0.56 0.01 -1.39 0.00 -1.78 0.45 119.26 118.64 1q48 h ALA 68 Ca -0.19 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1q48 h ALA 68 Cb 1.53 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1q48 h ALA 68 CO 0.03 -0.35 -0.01 0.66 0.00 0.00 0.00 179.25 179.58 1q48 h SER 69 N 0.18 -0.01 -1.01 0.00 4.64 -1.83 -2.49 113.55 113.03 1q48 h SER 69 Ca 0.27 -0.78 0.24 0.00 -0.47 0.00 0.00 61.79 61.05 1q48 h SER 69 Cb 0.39 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.38 1q48 h SER 69 CO -0.39 0.80 0.63 -1.28 -0.87 0.00 0.00 176.83 175.72 1q48 h SER 70 N -0.86 0.60 -0.17 4.97 0.87 -1.54 0.35 113.55 117.76 1q48 h SER 70 Ca -0.00 0.10 -0.20 0.00 -1.23 0.00 0.00 61.79 60.46 1q48 h SER 70 Cb 0.79 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1q48 h SER 70 CO 0.00 0.13 -0.65 -1.28 -0.53 0.00 0.00 176.83 174.51 1q48 h SER 71 N 0.54 0.91 0.96 6.23 0.87 -0.14 -2.06 113.55 120.84 1q48 h SER 71 Ca 0.61 -0.53 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1q48 h SER 71 Cb 1.27 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1q48 h SER 71 CO -0.38 1.32 -0.46 0.25 -0.53 0.00 0.00 176.83 177.04 1q48 h LEU 72 N 0.58 -1.09 0.31 2.23 5.85 0.08 -2.04 115.31 121.23 1q48 h LEU 72 Ca -0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1q48 h LEU 72 Cb 1.26 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 1q48 h LEU 72 CO 0.14 -0.75 -0.51 -0.29 -0.34 0.00 0.00 178.44 176.68 1q48 h ILE 73 N -1.33 0.02 -1.56 4.05 2.10 -1.12 0.12 117.51 119.79 1q48 h ILE 73 Ca -0.13 0.00 0.47 0.00 1.08 0.00 0.00 64.86 66.28 1q48 h ILE 73 Cb 0.99 0.02 -0.09 0.00 -1.09 0.00 0.00 36.82 36.65 1q48 h ILE 73 CO 0.22 0.00 1.09 0.71 -1.08 0.00 0.00 178.15 179.09 1q48 h THR 74 N -0.87 0.15 0.00 2.19 1.35 -1.37 2.90 112.91 117.26 1q48 h THR 74 Ca -0.03 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1q48 h THR 74 Cb 0.81 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1q48 h THR 74 CO -0.18 0.01 -0.62 1.21 -0.25 0.00 0.00 175.52 175.69 1q48 n GLU 75 N -4.25 0.08 0.04 4.72 2.13 0.08 -3.67 120.64 119.77 1q48 n GLU 75 Ca 0.37 0.01 0.11 0.00 0.66 0.00 0.00 57.16 58.32 1q48 n GLU 75 Cb 1.62 -1.54 -0.02 0.00 0.27 0.00 0.00 31.44 31.77 1q48 n GLU 75 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1q48 n TRP 76 N -1.65 0.44 -2.13 4.31 -0.00 0.95 -4.22 117.44 115.14 1q48 n TRP 76 Ca 0.05 0.13 -0.21 0.00 -0.00 0.00 0.00 57.50 57.46 1q48 n TRP 76 Cb 0.36 -0.61 0.02 0.00 -0.00 0.00 0.00 31.31 31.08 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 -2.24 2.38 -3.36 5.87 0.24 -0.14 -4.85 118.33 116.21 1q48 n VAL 77 Ca 0.00 -4.08 -0.40 0.00 -2.04 0.00 0.00 64.34 57.82 1q48 n VAL 77 Cb 0.50 -0.86 -0.09 0.00 -1.47 0.00 0.00 33.84 31.92 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 -3.62 3.74 0.00 7.34 2.20 -1.24 -4.10 119.74 124.06 1q48 s LYS 78 Ca 0.48 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1q48 s LYS 78 Cb 0.40 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1q48 s LYS 78 CO 0.03 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 1q48 n GLY 79 N 4.82 0.33 1.40 5.54 0.00 0.53 -4.94 105.19 112.88 1q48 n GLY 79 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 -1.32 -4.00 1.61 4.76 -1.26 -4.33 118.16 111.62 1q48 n LYS 80 Ca 0.00 -0.72 -0.23 0.00 -2.87 0.00 0.00 58.31 54.49 1q48 n LYS 80 Cb 0.00 -0.59 -0.03 0.00 -1.84 0.00 0.00 35.03 32.57 1q48 n LYS 80 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1q48 s SER 81 N -2.74 6.12 0.36 4.39 0.01 -1.26 -2.54 113.70 118.04 1q48 s SER 81 Ca 0.28 0.02 0.27 0.00 1.31 0.00 0.00 55.95 57.83 1q48 s SER 81 Cb -0.02 -1.76 1.12 0.00 0.21 0.00 0.00 66.02 65.57 1q48 s SER 81 CO 0.21 -0.02 1.81 -0.07 0.41 0.00 0.00 173.24 175.57 1q48 h LEU 82 N 1.55 0.00 -1.32 2.44 3.38 -1.97 -2.42 115.31 116.96 1q48 h LEU 82 Ca -0.50 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 1q48 h LEU 82 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1q48 h LEU 82 CO 0.63 0.00 -0.28 -0.08 0.09 0.00 0.00 178.44 178.80 1q48 h GLU 83 N 0.00 0.00 0.06 1.13 4.81 -1.93 0.13 114.58 118.77 1q48 h GLU 83 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 1q48 h GLU 83 Cb 0.42 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1q48 h GLU 83 CO 0.00 0.28 -2.01 0.39 -0.73 0.00 0.00 179.01 176.94 1q48 n GLU 84 N -3.66 0.67 0.20 1.92 1.02 -0.94 -4.17 120.64 115.68 1q48 n GLU 84 Ca -0.01 0.31 0.05 0.00 -0.02 0.00 0.00 57.16 57.49 1q48 n GLU 84 Cb 0.39 -1.65 0.41 0.00 -0.02 0.00 0.00 31.44 30.57 1q48 n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q48 h ALA 85 N -0.20 1.26 -0.47 0.62 0.00 -1.49 -2.45 119.26 116.53 1q48 h ALA 85 Ca -0.48 -0.31 -0.27 0.00 0.00 0.00 0.00 54.91 53.86 1q48 h ALA 85 Cb 1.80 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 19.39 1q48 h ALA 85 CO -0.08 0.42 0.34 0.41 0.00 0.00 0.00 179.25 180.35 1q48 n GLY 86 N -0.32 3.47 0.58 0.00 0.00 0.44 -3.77 105.19 105.60 1q48 n GLY 86 Ca -0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.08 1.07 0.15 4.61 0.00 -0.95 -4.96 120.51 120.35 1q48 n ALA 87 Ca 0.29 -0.23 0.03 0.00 0.00 0.00 0.00 53.44 53.53 1q48 n ALA 87 Cb 0.91 -0.20 0.09 0.00 0.00 0.00 0.00 19.45 20.25 1q48 n ALA 87 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1q48 h ILE 88 N 2.47 0.84 -1.64 0.00 3.07 -1.59 -3.49 117.51 117.17 1q48 h ILE 88 Ca -0.19 -2.06 0.10 0.00 1.55 0.00 0.00 64.86 64.26 1q48 h ILE 88 Cb 0.80 2.33 -0.06 0.00 -0.27 0.00 0.00 36.82 39.62 1q48 h ILE 88 CO -0.10 0.46 -0.54 1.17 -1.05 0.00 0.00 178.15 178.09 1q48 n LYS 89 N -3.27 -1.65 -0.05 0.16 3.00 -1.26 -4.40 118.16 110.68 1q48 n LYS 89 Ca 0.02 1.33 -0.21 0.00 -0.00 0.00 0.00 58.31 59.44 1q48 n LYS 89 Cb 0.69 -1.80 -0.13 0.00 0.00 0.00 0.00 35.03 33.79 1q48 n LYS 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1q48 n ASN 90 N -2.70 2.04 -0.10 3.14 6.94 -1.26 -4.04 115.26 119.29 1q48 n ASN 90 Ca -0.03 0.15 0.00 0.00 -0.02 0.00 0.00 54.58 54.69 1q48 n ASN 90 Cb 0.28 -0.76 0.28 0.00 -2.36 0.00 0.00 39.78 37.23 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 -0.16 0.68 0.20 0.53 0.87 -1.88 -2.10 113.55 111.68 1q48 h SER 91 Ca -0.48 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.01 1q48 h SER 91 Cb 1.88 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1q48 h SER 91 CO -0.03 0.58 -0.11 -0.61 -0.53 0.00 0.00 176.83 176.13 1q48 h GLN 92 N 0.75 -0.28 -1.01 2.24 -0.00 -1.79 0.29 115.11 115.31 1q48 h GLN 92 Ca 0.19 0.02 0.27 0.00 -0.00 0.00 0.00 58.65 59.12 1q48 h GLN 92 Cb 0.09 0.06 -0.07 0.00 0.00 0.00 0.00 27.48 27.57 1q48 h GLN 92 CO -0.02 -0.18 0.69 0.82 0.00 0.00 0.00 178.83 180.13 1q48 h ILE 93 N -0.29 0.53 -0.05 2.39 2.04 -1.69 0.61 117.51 121.07 1q48 h ILE 93 Ca -0.03 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 1q48 h ILE 93 Cb 0.23 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1q48 h ILE 93 CO 0.03 0.04 -0.45 0.00 0.00 0.00 0.00 178.15 177.77 1q48 h ALA 94 N 1.56 1.16 -0.02 1.87 0.00 -0.91 -2.39 119.26 120.53 1q48 h ALA 94 Ca 0.53 -0.42 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1q48 h ALA 94 Cb 1.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1q48 h ALA 94 CO -0.15 0.59 -0.91 1.49 0.00 0.00 0.00 179.25 180.27 1q48 h GLU 95 N 0.09 0.45 -0.37 0.00 4.57 0.24 -2.51 114.58 117.04 1q48 h GLU 95 Ca 0.00 -0.46 -0.08 0.00 -1.18 0.00 0.00 59.36 57.65 1q48 h GLU 95 Cb 0.83 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1q48 h GLU 95 CO 0.06 1.11 -0.07 1.49 -1.18 0.00 0.00 179.01 180.42 1q48 h GLU 96 N 0.26 0.70 0.00 1.92 4.81 -1.20 -2.44 114.58 118.64 1q48 h GLU 96 Ca -0.07 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1q48 h GLU 96 Cb 1.53 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1q48 h GLU 96 CO 0.16 0.85 0.00 -0.07 -0.73 0.00 0.00 179.01 179.22 1q48 h LEU 97 N 0.50 0.00 -0.62 1.64 3.38 -1.47 -3.46 115.31 115.29 1q48 h LEU 97 Ca 0.10 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.61 1q48 h LEU 97 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1q48 h LEU 97 CO 0.03 0.00 -0.71 1.21 0.09 0.00 0.00 178.44 179.06 1q48 n GLU 98 N -2.64 -5.55 -2.94 1.13 4.07 -0.92 -4.93 120.64 108.86 1q48 n GLU 98 Ca 0.02 0.64 -0.33 0.00 -0.06 0.00 0.00 57.16 57.42 1q48 n GLU 98 Cb 0.29 -5.53 -0.07 0.00 -0.06 0.00 0.00 31.44 26.07 1q48 n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1q48 s LEU 99 N -7.16 4.05 0.57 4.31 0.05 -1.23 -5.03 118.68 114.24 1q48 s LEU 99 Ca 0.60 1.55 -0.20 0.00 0.05 0.00 0.00 54.13 56.14 1q48 s LEU 99 Cb -0.30 -4.27 -0.05 0.00 -2.05 0.00 0.00 46.19 39.53 1q48 s LEU 99 CO 0.74 -0.25 1.20 -2.16 -0.55 0.00 0.00 176.35 175.33 1q48 s PRO 100 N -2.91 3.14 0.00 1.48 0.04 -1.26 -4.89 135.00 130.60 1q48 s PRO 100 Ca 0.57 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1q48 s PRO 100 Cb -0.11 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1q48 s PRO 100 CO 0.16 -1.07 0.33 -0.35 0.04 0.00 0.00 177.00 176.12 1q48 n PRO 101 N -1.37 0.66 0.06 0.56 -0.04 -1.26 -3.52 135.00 130.08 1q48 n PRO 101 Ca 0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 1q48 n PRO 101 Cb 0.49 -1.33 0.30 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.17 0.32 -2.84 0.52 0.24 -1.26 -4.34 118.33 111.15 1q48 n VAL 102 Ca 0.00 -0.20 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 1q48 n VAL 102 Cb 0.17 -0.23 0.05 0.00 -1.47 0.00 0.00 33.84 32.35 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 -1.98 1.07 -0.33 7.34 3.00 -1.23 -4.96 118.16 121.06 1q48 n LYS 103 Ca 0.05 -2.60 -0.00 0.00 -0.00 0.00 0.00 58.31 55.76 1q48 n LYS 103 Cb 0.41 -1.06 -0.00 0.00 0.00 0.00 0.00 35.03 34.38 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 0.05 1.33 -0.04 3.15 0.31 -1.26 -3.55 118.33 118.31 1q48 n VAL 104 Ca 0.10 -0.33 -0.02 0.00 -0.01 0.00 0.00 64.34 64.07 1q48 n VAL 104 Cb 0.75 -1.33 -0.14 0.00 -0.91 0.00 0.00 33.84 32.20 1q48 n VAL 104 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1q48 n HIS 105 N 1.67 0.26 -0.01 3.52 -0.00 -1.26 -4.12 115.22 115.27 1q48 n HIS 105 Ca 0.00 0.09 -0.16 0.00 -0.00 0.00 0.00 57.72 57.65 1q48 n HIS 105 Cb 0.33 -0.90 -0.10 0.00 -0.00 0.00 0.00 29.99 29.32 1q48 n HIS 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1q48 h SER 107 N -0.16 0.08 -0.32 0.00 4.64 -1.84 0.16 113.55 116.12 1q48 h SER 107 Ca -0.05 0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1q48 h SER 107 Cb 1.16 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1q48 h SER 107 CO 0.09 0.07 -0.13 0.40 -0.87 0.00 0.00 176.83 176.39 1q48 h ILE 108 N 0.29 1.29 -0.79 0.95 2.04 -1.71 -2.72 117.51 116.86 1q48 h ILE 108 Ca 0.26 -1.21 0.05 0.00 1.00 0.00 0.00 64.86 64.96 1q48 h ILE 108 Cb 0.34 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 1q48 h ILE 108 CO -0.31 0.39 0.52 -0.07 0.00 0.00 0.00 178.15 178.68 1q48 h LEU 109 N 0.41 0.80 0.77 1.44 4.07 -0.46 0.22 115.31 122.57 1q48 h LEU 109 Ca 0.07 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 1q48 h LEU 109 Cb 0.64 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 42.21 1q48 h LEU 109 CO 0.04 0.54 -0.37 0.00 -1.08 0.00 0.00 178.44 177.57 1q48 h ALA 110 N 1.55 -1.04 0.59 1.53 0.00 -0.50 -1.41 119.26 119.99 1q48 h ALA 110 Ca 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1q48 h ALA 110 Cb 0.12 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1q48 h ALA 110 CO -0.10 -1.00 -0.48 1.49 0.00 0.00 0.00 179.25 179.15 1q48 h GLU 111 N -1.20 -1.01 -1.46 0.00 4.81 -1.24 -0.41 114.58 114.07 1q48 h GLU 111 Ca -0.11 0.07 0.44 0.00 -0.13 0.00 0.00 59.36 59.63 1q48 h GLU 111 Cb 0.81 0.23 -0.09 0.00 0.63 0.00 0.00 28.75 30.33 1q48 h GLU 111 CO 0.17 -0.67 1.02 0.22 -0.73 0.00 0.00 179.01 179.02 1q48 h ASP 112 N -1.05 0.12 0.50 1.04 1.82 -1.01 0.33 116.42 118.16 1q48 h ASP 112 Ca -0.08 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 1q48 h ASP 112 Cb 0.88 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.93 1q48 h ASP 112 CO 0.00 -0.05 -0.24 0.00 -1.61 0.00 0.00 179.24 177.35 1q48 h ALA 113 N 1.36 -0.74 -0.07 -0.78 0.00 0.06 0.11 119.26 119.20 1q48 h ALA 113 Ca 0.76 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.55 1q48 h ALA 113 Cb 2.77 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 20.81 1q48 h ALA 113 CO -0.16 -0.69 0.54 0.97 0.00 0.00 0.00 179.25 179.91 1q48 h ILE 114 N -1.06 0.03 0.00 0.00 6.09 -0.16 -1.11 117.51 121.30 1q48 h ILE 114 Ca -0.07 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.40 1q48 h ILE 114 Cb 0.51 0.48 -0.00 0.00 0.47 0.00 0.00 36.82 38.28 1q48 h ILE 114 CO 0.11 0.00 -0.35 0.50 -3.07 0.00 0.00 178.15 175.34 1q48 h LYS 115 N 0.00 0.00 -1.17 2.19 3.64 -1.01 -2.59 116.57 117.63 1q48 h LYS 115 Ca 0.03 0.00 0.33 0.00 -1.27 0.00 0.00 60.65 59.75 1q48 h LYS 115 Cb 1.10 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 1q48 h LYS 115 CO -0.00 0.21 0.82 0.00 -2.27 0.00 0.00 179.45 178.21 1q48 h ALA 116 N -0.85 2.93 0.13 5.00 0.00 0.21 -0.07 119.26 126.61 1q48 h ALA 116 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1q48 h ALA 116 Cb 0.45 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1q48 h ALA 116 CO -0.02 -1.30 -0.06 0.00 0.00 0.00 0.00 179.25 177.87 1q48 h ALA 117 N 1.45 -0.17 -1.28 0.00 0.00 -1.40 -2.49 119.26 115.39 1q48 h ALA 117 Ca 0.58 -0.12 0.37 0.00 0.00 0.00 0.00 54.91 55.74 1q48 h ALA 117 Cb 2.14 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.92 1q48 h ALA 117 CO -0.08 -0.17 0.90 0.82 0.00 0.00 0.00 179.25 180.71 1q48 h ILE 118 N -1.02 0.35 -0.03 0.00 2.04 -0.78 0.41 117.51 118.48 1q48 h ILE 118 Ca -0.02 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 1q48 h ILE 118 Cb 0.30 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1q48 h ILE 118 CO 0.03 0.01 -0.27 0.00 0.00 0.00 0.00 178.15 177.92 1q48 h ALA 119 N 1.41 0.08 0.00 1.87 0.00 -1.08 -1.89 119.26 119.64 1q48 h ALA 119 Ca 0.64 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1q48 h ALA 119 Cb 2.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.16 1q48 h ALA 119 CO -0.09 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 1q48 n ASP 120 N -4.49 0.00 -0.09 0.00 8.00 0.12 -0.53 116.55 119.56 1q48 n ASP 120 Ca -0.09 -0.52 -0.10 0.00 0.71 0.00 0.00 54.79 54.79 1q48 n ASP 120 Cb 0.49 -0.04 -0.13 0.00 -0.02 0.00 0.00 41.12 41.42 1q48 n ASP 120 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q48 n TYR 121 N -1.04 0.00 -0.07 1.24 9.36 0.31 -4.16 117.16 122.81 1q48 n TYR 121 Ca 0.14 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.25 1q48 n TYR 121 Cb 0.08 -0.86 -0.15 0.00 -0.63 0.00 0.00 39.34 37.78 1q48 n TYR 121 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1q48 n LYS 122 N -2.75 0.67 0.23 2.98 3.00 -0.73 -4.05 118.16 117.51 1q48 n LYS 122 Ca -0.31 0.13 0.16 0.00 -0.00 0.00 0.00 58.31 58.29 1q48 n LYS 122 Cb 1.04 -1.63 0.62 0.00 0.00 0.00 0.00 35.03 35.05 1q48 n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q48 h ALA 123 N 0.86 1.00 -0.12 3.14 0.00 -1.05 -2.07 119.26 121.03 1q48 h ALA 123 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1q48 h ALA 123 Cb 2.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1q48 h ALA 123 CO 0.04 0.00 0.00 1.17 0.00 0.00 0.00 179.25 180.46 1q48 n LYS 124 N -2.80 1.43 -0.02 0.00 3.00 -1.26 -3.42 118.16 115.09 1q48 n LYS 124 Ca 0.01 -0.65 0.07 0.00 -0.00 0.00 0.00 58.31 57.75 1q48 n LYS 124 Cb 0.28 -1.30 -0.16 0.00 0.00 0.00 0.00 35.03 33.85 1q48 n LYS 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1q48 n GLN 125 N -0.10 0.66 0.12 1.64 7.27 -0.78 -4.22 117.38 121.97 1q48 n GLN 125 Ca 0.13 -0.16 0.12 0.00 0.07 0.00 0.00 57.00 57.16 1q48 n GLN 125 Cb 0.20 -1.49 0.09 0.00 2.41 0.00 0.00 30.24 31.45 1q48 n GLN 125 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1q48 h GLY 126 N 3.80 0.00 2.00 1.69 0.00 -1.67 -3.25 103.07 105.65 1q48 h GLY 126 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1q48 h GLY 126 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.54 1q48 h LEU 127 N 0.00 0.00 -3.30 3.11 5.85 -1.73 -3.47 115.31 115.76 1q48 h LEU 127 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1q48 h LEU 127 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1q48 h LEU 127 CO 0.00 0.00 -1.04 1.21 -0.34 0.00 0.00 178.44 178.27 1q48 n GLU 128 N -2.32 -0.89 -1.42 1.25 2.13 -1.23 -4.17 120.64 114.00 1q48 n GLU 128 Ca 0.02 1.08 -0.18 0.00 0.66 0.00 0.00 57.16 58.74 1q48 n GLU 128 Cb 0.23 -1.62 -0.18 0.00 0.27 0.00 0.00 31.44 30.14 1q48 n GLU 128 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1q48 n HIS 129 N 0.90 0.07 0.00 4.31 8.25 -1.26 -4.77 115.22 122.72 1q48 n HIS 129 Ca -0.02 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1q48 n HIS 129 Cb 0.50 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1q48 n HIS 129 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q48 n HIS 130 N 6.16 0.00 -1.09 4.41 -0.00 -1.26 -5.03 115.22 118.42 1q48 n HIS 130 Ca 0.55 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 58.37 1q48 n HIS 130 Cb 0.22 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 30.15 1q48 n HIS 130 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1q48 n HIS 131 N 0.00 -2.92 -4.53 1.57 -0.00 -1.26 -4.99 115.22 103.10 1q48 n HIS 131 Ca 0.00 0.21 -0.25 0.00 0.46 0.00 0.00 57.72 58.15 1q48 n HIS 131 Cb 0.00 -1.67 -0.11 0.00 -0.12 0.00 0.00 29.99 28.09 1q48 n HIS 131 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1q48 s HIS 132 N -2.04 2.25 -0.02 1.57 3.76 -1.26 -5.16 115.29 114.39 1q48 s HIS 132 Ca 0.53 -0.71 -0.06 0.00 -0.15 0.00 0.00 55.06 54.67 1q48 s HIS 132 Cb -0.30 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 31.95 1q48 s HIS 132 CO 0.70 0.33 0.13 -1.01 -0.85 0.00 0.00 174.74 174.04 1q48 s HIS 133 N -2.90 -0.01 -1.15 1.40 3.76 -1.26 -5.32 115.29 109.81 1q48 s HIS 133 Ca 0.34 0.01 0.09 0.00 -0.15 0.00 0.00 55.06 55.35 1q48 s HIS 133 Cb 0.07 -0.02 0.07 0.00 1.11 0.00 0.00 32.58 33.81 1q48 s HIS 133 CO 0.16 -0.21 0.79 1.58 -0.85 0.00 0.00 174.74 176.21