#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 -0.02 -2.88 -5.12 0.00 -1.26 -4.91 120.51 106.32 1q48 n ALA 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1q48 n ALA 2 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1q48 n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1q48 s TYR 3 N -0.97 0.40 -0.27 0.00 2.02 -1.26 -5.11 117.35 112.16 1q48 s TYR 3 Ca 0.00 -0.36 -0.29 0.00 -0.37 0.00 0.00 57.07 56.05 1q48 s TYR 3 Cb 0.00 -0.25 -0.00 0.00 -0.40 0.00 0.00 41.96 41.30 1q48 s TYR 3 CO 0.00 -0.09 1.34 0.45 -1.57 0.00 0.00 175.55 175.68 1q48 s SER 4 N -1.04 6.67 0.00 2.29 0.15 -1.26 -4.94 113.70 115.56 1q48 s SER 4 Ca -0.08 1.33 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1q48 s SER 4 Cb -0.07 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1q48 s SER 4 CO -0.00 -1.06 0.75 1.21 1.20 0.00 0.00 173.24 175.34 1q48 n GLU 5 N 7.27 0.00 -0.01 5.44 2.13 -1.26 -4.78 120.64 129.44 1q48 n GLU 5 Ca 0.15 0.35 -0.04 0.00 0.66 0.00 0.00 57.16 58.29 1q48 n GLU 5 Cb 0.46 -1.29 -0.01 0.00 0.27 0.00 0.00 31.44 30.86 1q48 n GLU 5 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1q48 n LYS 6 N -1.56 0.09 -3.86 5.31 2.85 -1.26 -5.10 118.16 114.63 1q48 n LYS 6 Ca 0.00 0.04 -0.10 0.00 -1.05 0.00 0.00 58.31 57.20 1q48 n LYS 6 Cb 0.00 -0.66 -0.08 0.00 -0.65 0.00 0.00 35.03 33.64 1q48 n LYS 6 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1q48 s VAL 7 N -2.10 0.12 -0.86 0.58 0.11 -1.26 -5.09 120.40 111.89 1q48 s VAL 7 Ca -0.06 -0.99 -0.19 0.00 -2.93 0.00 0.00 61.98 57.81 1q48 s VAL 7 Cb 0.02 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.99 1q48 s VAL 7 CO 0.08 -0.55 1.05 0.27 -3.33 0.00 0.00 175.10 172.62 1q48 s ILE 8 N -2.85 4.73 -0.40 7.04 -4.36 -1.26 -4.79 121.20 119.31 1q48 s ILE 8 Ca -0.03 -1.41 0.10 0.00 -0.26 0.00 0.00 60.65 59.05 1q48 s ILE 8 Cb 0.00 -4.73 0.36 0.00 1.25 0.00 0.00 42.46 39.35 1q48 s ILE 8 CO -0.05 -1.45 0.97 -0.67 0.24 0.00 0.00 174.94 173.98 1q48 n ASP 9 N 6.55 -0.49 0.00 4.36 -0.08 -1.26 -5.09 116.55 120.53 1q48 n ASP 9 Ca 0.17 -3.14 0.00 0.00 -1.51 0.00 0.00 54.79 50.31 1q48 n ASP 9 Cb 0.48 0.46 0.00 0.00 2.34 0.00 0.00 41.12 44.40 1q48 n ASP 9 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1q48 n HIS 10 N 0.16 0.00 -3.53 -0.67 8.25 -1.26 -5.15 115.22 113.01 1q48 n HIS 10 Ca 0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.56 1q48 n HIS 10 Cb 0.72 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.83 1q48 n HIS 10 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1q48 n TYR 11 N 0.00 -0.82 0.00 4.41 4.01 -1.26 -5.12 117.16 118.37 1q48 n TYR 11 Ca 0.00 -0.46 0.00 0.00 -0.16 0.00 0.00 57.90 57.28 1q48 n TYR 11 Cb 0.00 0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 1q48 n TYR 11 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1q48 n GLU 12 N -0.12 0.00 0.06 -0.72 2.13 -1.26 -4.97 120.64 115.76 1q48 n GLU 12 Ca -0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 1q48 n GLU 12 Cb 0.12 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.69 1q48 n GLU 12 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1q48 h ASN 13 N 0.00 0.53 -1.61 4.31 -1.24 -2.06 -3.42 115.58 112.09 1q48 h ASN 13 Ca 0.00 -0.94 -0.43 0.00 0.71 0.00 0.00 56.30 55.64 1q48 h ASN 13 Cb 0.00 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 1q48 h ASN 13 CO 0.00 1.43 1.33 -2.84 -1.29 0.00 0.00 177.43 176.06 1q48 s PRO 14 N -2.51 2.32 0.03 6.67 0.02 -1.26 -4.71 135.00 135.56 1q48 s PRO 14 Ca -0.13 0.87 0.00 0.00 0.02 0.00 0.00 61.00 61.76 1q48 s PRO 14 Cb 0.01 -4.55 0.00 0.00 0.02 0.00 0.00 34.50 29.98 1q48 s PRO 14 CO 0.85 -3.15 0.00 0.54 -0.33 0.00 0.00 177.00 174.91 1q48 n ARG 15 N 9.06 0.00 -3.91 5.54 5.12 -1.26 -4.92 116.66 126.29 1q48 n ARG 15 Ca 0.31 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.88 1q48 n ARG 15 Cb 0.52 -0.10 -0.14 0.00 -1.16 0.00 0.00 32.46 31.59 1q48 n ARG 15 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1q48 s ASN 16 N -5.09 4.34 0.00 0.55 3.04 -1.26 -4.95 114.94 111.57 1q48 s ASN 16 Ca 0.00 -0.52 0.17 0.00 0.04 0.00 0.00 52.86 52.55 1q48 s ASN 16 Cb 0.00 -1.73 0.94 0.00 -1.54 0.00 0.00 41.25 38.92 1q48 s ASN 16 CO 0.00 -0.06 1.49 1.33 -3.04 0.00 0.00 177.10 176.82 1q48 n VAL 17 N 4.77 0.30 -2.71 -5.21 0.24 -1.26 -3.34 118.33 111.13 1q48 n VAL 17 Ca -0.18 0.07 -0.31 0.00 -2.04 0.00 0.00 64.34 61.89 1q48 n VAL 17 Cb 0.50 -0.79 -0.01 0.00 -1.47 0.00 0.00 33.84 32.06 1q48 n VAL 17 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q48 n GLY 18 N 0.14 5.80 3.65 7.63 0.00 -1.26 -4.96 105.19 116.19 1q48 n GLY 18 Ca 0.10 -2.72 -0.02 0.00 0.00 0.00 0.00 46.02 43.38 1q48 n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q48 s SER 19 N -2.87 -0.15 0.00 1.61 0.15 -1.21 -4.92 113.70 106.31 1q48 s SER 19 Ca 0.47 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1q48 s SER 19 Cb 0.30 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1q48 s SER 19 CO -0.17 -0.54 0.00 -0.11 1.20 0.00 0.00 173.24 173.62 1q48 n LEU 20 N -0.40 0.00 -4.77 3.45 7.94 -1.26 -4.93 117.00 117.03 1q48 n LEU 20 Ca -0.06 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.47 1q48 n LEU 20 Cb 0.61 -0.05 -0.00 0.00 0.53 0.00 0.00 43.42 44.51 1q48 n LEU 20 CO 0.12 0.00 0.83 -1.81 -1.11 0.00 0.00 177.39 175.42 1q48 s ASP 21 N -1.42 5.96 0.00 1.96 1.01 -1.26 -4.86 116.67 118.07 1q48 s ASP 21 Ca 0.00 2.31 0.00 0.00 0.71 0.00 0.00 52.55 55.57 1q48 s ASP 21 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1q48 s ASP 21 CO 0.00 -1.06 0.45 1.17 0.21 0.00 0.00 175.17 175.94 1q48 n LYS 22 N -0.75 0.68 -0.95 8.23 4.81 -1.26 -2.63 118.16 126.29 1q48 n LYS 22 Ca 0.09 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.57 1q48 n LYS 22 Cb 0.49 -1.23 0.07 0.00 0.02 0.00 0.00 35.03 34.38 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 -0.06 0.51 -2.72 1.64 4.01 -1.26 -5.07 118.16 115.21 1q48 n LYS 23 Ca 0.00 -2.17 -0.30 0.00 -0.51 0.00 0.00 58.31 55.33 1q48 n LYS 23 Cb 0.11 -0.63 -0.02 0.00 -0.51 0.00 0.00 35.03 33.98 1q48 n LYS 23 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1q48 s ASP 24 N -2.19 6.46 0.00 4.39 1.01 -1.08 -4.96 116.67 120.31 1q48 s ASP 24 Ca 0.28 1.15 0.28 0.00 0.71 0.00 0.00 52.55 54.97 1q48 s ASP 24 Cb 0.30 -2.33 1.16 0.00 1.01 0.00 0.00 42.92 43.06 1q48 s ASP 24 CO -0.09 -0.48 1.82 -1.20 0.21 0.00 0.00 175.17 175.43 1q48 n SER 25 N -1.58 0.61 -0.21 0.27 7.64 -1.26 -3.47 113.62 115.62 1q48 n SER 25 Ca 0.03 -0.70 0.03 0.00 1.01 0.00 0.00 58.87 59.23 1q48 n SER 25 Cb 0.54 -0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.73 1q48 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1q48 n ASN 26 N -0.83 1.36 -4.63 6.43 4.13 -1.26 -4.79 115.26 115.67 1q48 n ASN 26 Ca 0.15 -1.18 -0.34 0.00 1.68 0.00 0.00 54.58 54.88 1q48 n ASN 26 Cb 0.29 0.09 -0.10 0.00 -1.54 0.00 0.00 39.78 38.52 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 -0.56 4.76 0.06 2.41 1.01 -1.23 -2.34 120.40 124.52 1q48 s VAL 27 Ca 0.06 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1q48 s VAL 27 Cb 0.05 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1q48 s VAL 27 CO 0.08 0.46 -0.10 -0.83 0.00 0.00 0.00 175.10 174.71 1q48 s GLY 28 N 0.40 1.75 -0.06 4.51 0.00 -0.79 -4.73 107.32 108.40 1q48 s GLY 28 Ca 0.03 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.60 1q48 s GLY 28 CO 0.00 -1.10 -0.10 -1.59 0.00 0.00 0.00 173.10 170.31 1q48 s THR 29 N -1.11 0.97 -0.03 0.90 2.01 -1.26 -2.30 115.64 114.83 1q48 s THR 29 Ca 0.19 -0.39 0.05 0.00 0.31 0.00 0.00 61.69 61.85 1q48 s THR 29 Cb -0.11 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1q48 s THR 29 CO 0.11 0.32 -0.17 -0.83 -0.69 0.00 0.00 174.62 173.35 1q48 s GLY 30 N 0.69 0.88 -0.06 4.40 0.00 0.70 -4.24 107.32 109.68 1q48 s GLY 30 Ca -0.13 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 1q48 s GLY 30 CO 0.03 -0.49 0.02 -0.29 0.00 0.00 0.00 173.10 172.37 1q48 s MET 31 N -0.20 0.38 -0.04 2.90 1.75 -1.26 -0.42 119.30 122.41 1q48 s MET 31 Ca 0.02 0.19 -0.11 0.00 -1.25 0.00 0.00 55.69 54.54 1q48 s MET 31 Cb -0.09 -0.80 0.02 0.00 2.84 0.00 0.00 34.83 36.80 1q48 s MET 31 CO 0.01 -0.30 0.26 0.14 -0.65 0.00 0.00 175.02 174.47 1q48 s VAL 32 N 1.99 0.04 0.00 10.11 -7.23 -0.75 -5.03 120.40 119.53 1q48 s VAL 32 Ca 0.04 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1q48 s VAL 32 Cb -0.12 -0.49 0.00 0.00 0.56 0.00 0.00 36.38 36.32 1q48 s VAL 32 CO -0.04 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 1q48 n GLY 33 N 1.87 4.36 2.85 2.32 0.00 -1.26 -1.75 105.19 113.59 1q48 n GLY 33 Ca -0.19 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.96 3.53 -0.99 4.61 0.00 -0.76 -4.93 121.76 121.27 1q48 s ALA 34 Ca 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 51.96 48.30 1q48 s ALA 34 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1q48 s ALA 34 CO 0.00 -2.08 0.18 -2.30 0.00 0.00 0.00 175.76 171.56 1q48 n PRO 35 N 2.14 0.00 0.00 0.00 -0.02 -1.26 -0.48 135.00 135.38 1q48 n PRO 35 Ca 0.20 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 1q48 n PRO 35 Cb 0.36 -1.36 0.36 0.00 -0.02 0.00 0.00 33.50 32.84 1q48 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q48 n ALA 36 N -0.61 3.00 0.16 3.55 0.00 -1.26 -4.70 120.51 120.65 1q48 n ALA 36 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1q48 n ALA 36 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.24 0.03 3.44 0.00 0.00 -1.07 -5.11 105.19 102.72 1q48 n GLY 38 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.02 4.62 -0.31 1.61 1.11 -1.26 -4.89 116.67 117.53 1q48 s ASP 39 Ca 0.00 -0.22 -0.07 0.00 0.18 0.00 0.00 52.55 52.44 1q48 s ASP 39 Cb 0.00 -1.77 0.02 0.00 1.07 0.00 0.00 42.92 42.24 1q48 s ASP 39 CO 0.00 0.11 0.10 0.54 1.18 0.00 0.00 175.17 177.10 1q48 s VAL 40 N 0.73 4.04 -0.19 -1.27 0.11 -1.26 -1.83 120.40 120.73 1q48 s VAL 40 Ca -0.02 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1q48 s VAL 40 Cb -0.15 -3.14 0.02 0.00 -1.53 0.00 0.00 36.38 31.59 1q48 s VAL 40 CO 0.02 -0.01 -0.18 -0.32 -3.33 0.00 0.00 175.10 171.28 1q48 s MET 41 N 1.49 2.95 0.16 1.54 0.00 -0.72 -3.64 119.30 121.08 1q48 s MET 41 Ca 0.02 -0.86 0.04 0.00 0.00 0.00 0.00 55.69 54.88 1q48 s MET 41 Cb -0.18 -2.63 -0.04 0.00 0.00 0.00 0.00 34.83 31.99 1q48 s MET 41 CO 0.03 -0.24 0.20 -1.14 0.00 0.00 0.00 175.02 173.87 1q48 s GLN 42 N 1.29 3.13 -0.25 4.11 0.74 -0.32 -1.82 119.66 126.55 1q48 s GLN 42 Ca 0.04 -0.75 -0.08 0.00 0.05 0.00 0.00 55.36 54.62 1q48 s GLN 42 Cb -0.14 -2.78 0.11 0.00 1.10 0.00 0.00 33.01 31.30 1q48 s GLN 42 CO -0.12 0.50 0.53 -1.17 -0.55 0.00 0.00 175.29 174.48 1q48 s LEU 43 N -3.16 -0.89 0.13 3.68 2.96 0.44 -2.20 118.68 119.64 1q48 s LEU 43 Ca 0.32 1.23 0.10 0.00 -0.22 0.00 0.00 54.13 55.57 1q48 s LEU 43 Cb -0.10 1.80 -0.04 0.00 0.50 0.00 0.00 46.19 48.34 1q48 s LEU 43 CO 0.26 -0.23 -0.24 -1.10 -1.32 0.00 0.00 176.35 173.72 1q48 s GLN 44 N 2.75 1.31 -0.01 1.98 -0.21 -0.36 -0.22 119.66 124.91 1q48 s GLN 44 Ca -0.03 -1.32 0.02 0.00 0.02 0.00 0.00 55.36 54.05 1q48 s GLN 44 Cb -0.12 -1.66 0.00 0.00 1.00 0.00 0.00 33.01 32.23 1q48 s GLN 44 CO -0.16 0.38 -0.05 0.96 -2.12 0.00 0.00 175.29 174.30 1q48 s ILE 45 N -1.30 0.42 -0.18 1.08 -4.36 -0.97 -1.45 121.20 114.44 1q48 s ILE 45 Ca 0.13 -0.20 -0.05 0.00 -0.26 0.00 0.00 60.65 60.27 1q48 s ILE 45 Cb -0.09 -0.38 -0.03 0.00 1.25 0.00 0.00 42.46 43.21 1q48 s ILE 45 CO 0.06 0.14 0.00 -0.75 0.24 0.00 0.00 174.94 174.63 1q48 s LYS 46 N 0.08 3.72 0.08 0.37 2.36 -0.82 -1.88 119.74 123.65 1q48 s LYS 46 Ca -0.01 -0.48 0.01 0.00 -2.55 0.00 0.00 55.97 52.95 1q48 s LYS 46 Cb -0.04 -3.05 -0.04 0.00 -1.05 0.00 0.00 37.83 33.65 1q48 s LYS 46 CO -0.00 0.16 0.17 0.08 1.55 0.00 0.00 175.35 177.31 1q48 s VAL 47 N 0.60 5.06 0.00 4.02 1.01 -0.99 -2.72 120.40 127.39 1q48 s VAL 47 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1q48 s VAL 47 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1q48 s VAL 47 CO 0.02 0.10 0.00 -0.67 0.00 0.00 0.00 175.10 174.55 1q48 n ASP 48 N 0.24 0.00 0.00 3.32 2.03 -0.81 -4.83 116.55 116.50 1q48 n ASP 48 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1q48 n ASP 48 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1q48 n ASP 48 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1q48 n ASP 49 N 0.00 0.04 -0.19 1.67 5.68 -1.26 -4.80 116.55 117.69 1q48 n ASP 49 Ca 0.00 -1.01 0.04 0.00 -0.50 0.00 0.00 54.79 53.32 1q48 n ASP 49 Cb 0.00 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.04 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 -0.01 1.24 0.00 -1.12 3.02 -1.26 -4.95 115.26 112.19 1q48 n ASN 50 Ca 0.00 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 52.23 1q48 n ASN 50 Cb 0.35 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.65 0.50 3.75 7.41 0.00 -1.26 -4.89 105.19 110.05 1q48 n GLY 51 Ca 0.06 -0.02 -0.38 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 -2.00 5.17 -0.91 -0.61 -1.09 -1.26 -1.51 121.20 118.99 1q48 s ILE 52 Ca 0.00 0.84 -0.24 0.00 -2.23 0.00 0.00 60.65 59.03 1q48 s ILE 52 Cb 0.00 -3.75 0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1q48 s ILE 52 CO 0.00 0.41 1.34 -0.63 -1.23 0.00 0.00 174.94 174.82 1q48 s ILE 53 N 0.13 3.98 0.10 2.92 1.01 -0.72 -1.92 121.20 126.70 1q48 s ILE 53 Ca 0.23 -0.50 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 1q48 s ILE 53 Cb -0.15 -4.97 -0.11 0.00 0.01 0.00 0.00 42.46 37.24 1q48 s ILE 53 CO 0.10 -1.84 1.66 -0.08 0.00 0.00 0.00 174.94 174.78 1q48 h GLU 54 N 9.74 -0.41 -4.83 2.79 4.81 -1.84 -1.61 114.58 123.23 1q48 h GLU 54 Ca 0.03 0.03 -0.42 0.00 -0.13 0.00 0.00 59.36 58.87 1q48 h GLU 54 Cb 1.03 0.09 -0.29 0.00 0.63 0.00 0.00 28.75 30.21 1q48 h GLU 54 CO 1.34 -0.27 -0.79 -0.51 -0.73 0.00 0.00 179.01 178.05 1q48 s ASP 55 N -4.84 1.22 -0.07 1.04 1.01 -1.26 -4.48 116.67 109.29 1q48 s ASP 55 Ca -0.15 -0.19 0.05 0.00 0.71 0.00 0.00 52.55 52.97 1q48 s ASP 55 Cb 0.07 -0.17 -0.01 0.00 1.01 0.00 0.00 42.92 43.83 1q48 s ASP 55 CO 0.65 0.12 -0.24 0.00 0.21 0.00 0.00 175.17 175.91 1q48 s ALA 56 N -0.18 2.09 0.28 5.23 0.00 -1.26 -1.95 121.76 125.97 1q48 s ALA 56 Ca 0.03 -0.98 0.09 0.00 0.00 0.00 0.00 51.96 51.10 1q48 s ALA 56 Cb -0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1q48 s ALA 56 CO -0.00 0.35 0.09 0.15 0.00 0.00 0.00 175.76 176.35 1q48 s LYS 57 N 0.05 2.48 0.14 0.00 3.01 -0.53 -5.01 119.74 119.88 1q48 s LYS 57 Ca -0.09 -1.35 -0.25 0.00 -1.01 0.00 0.00 55.97 53.27 1q48 s LYS 57 Cb -0.15 -2.27 0.08 0.00 -1.01 0.00 0.00 37.83 34.47 1q48 s LYS 57 CO 0.05 0.30 1.06 -0.59 0.51 0.00 0.00 175.35 176.68 1q48 s PHE 58 N -2.30 -0.02 -0.30 3.18 -0.71 -1.26 -1.22 117.98 115.35 1q48 s PHE 58 Ca 0.34 -0.29 -0.13 0.00 -1.04 0.00 0.00 56.93 55.80 1q48 s PHE 58 Cb -0.06 0.65 0.14 0.00 -1.21 0.00 0.00 43.02 42.54 1q48 s PHE 58 CO 0.22 -0.77 0.83 0.15 -1.34 0.00 0.00 175.22 174.31 1q48 s LYS 59 N -2.62 0.45 0.02 1.99 1.02 -0.93 -4.95 119.74 114.72 1q48 s LYS 59 Ca 0.18 1.06 0.07 0.00 0.02 0.00 0.00 55.97 57.29 1q48 s LYS 59 Cb -0.01 0.55 -0.02 0.00 -0.52 0.00 0.00 37.83 37.83 1q48 s LYS 59 CO 0.03 -0.14 -0.21 0.95 -0.92 0.00 0.00 175.35 175.06 1q48 s THR 60 N 2.44 1.66 0.30 2.17 -4.23 -1.26 -1.17 115.64 115.55 1q48 s THR 60 Ca -0.05 -1.05 -0.10 0.00 -1.18 0.00 0.00 61.69 59.30 1q48 s THR 60 Cb -0.08 -1.41 0.04 0.00 1.34 0.00 0.00 72.50 72.39 1q48 s THR 60 CO -0.18 0.33 0.58 -1.22 -0.54 0.00 0.00 174.62 173.58 1q48 n TYR 61 N 2.19 -1.95 0.00 3.99 4.01 -1.24 -4.97 117.16 119.19 1q48 n TYR 61 Ca -0.16 -1.47 0.00 0.00 -0.16 0.00 0.00 57.90 56.10 1q48 n TYR 61 Cb 0.53 0.67 0.00 0.00 -0.31 0.00 0.00 39.34 40.23 1q48 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1q48 n GLY 62 N -0.41 2.35 3.44 2.72 0.00 -1.26 -4.25 105.19 107.77 1q48 n GLY 62 Ca -0.06 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.38 2.62 0.06 0.00 0.00 -1.26 -4.36 105.19 101.87 1q48 n GLY 64 Ca -0.07 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 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 1.39 3.08 0.30 1.61 7.64 -1.26 -4.49 113.62 121.90 1q48 n SER 65 Ca 0.24 -0.06 0.18 0.00 1.01 0.00 0.00 58.87 60.24 1q48 n SER 65 Cb 0.69 -0.17 0.95 0.00 -1.01 0.00 0.00 64.21 64.67 1q48 n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q48 h ALA 66 N 0.01 1.16 -0.59 -0.43 0.00 -1.97 -2.50 119.26 114.93 1q48 h ALA 66 Ca -0.26 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1q48 h ALA 66 Cb 1.41 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1q48 h ALA 66 CO -0.04 0.04 0.31 0.82 0.00 0.00 0.00 179.25 180.38 1q48 h ILE 67 N 0.00 0.95 -0.24 0.00 2.04 -1.79 -2.81 117.51 115.66 1q48 h ILE 67 Ca -0.00 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.69 1q48 h ILE 67 Cb 0.18 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 1q48 h ILE 67 CO 0.00 0.11 -0.41 0.00 0.00 0.00 0.00 178.15 177.85 1q48 h ALA 68 N 1.32 -0.70 -0.87 1.87 0.00 -1.72 0.08 119.26 119.23 1q48 h ALA 68 Ca 0.27 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.36 1q48 h ALA 68 Cb 0.18 0.98 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 1q48 h ALA 68 CO -0.18 -0.88 -0.06 0.66 0.00 0.00 0.00 179.25 178.79 1q48 h SER 69 N -0.34 -0.54 -0.01 0.00 4.64 -1.67 -1.47 113.55 114.17 1q48 h SER 69 Ca 0.04 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1q48 h SER 69 Cb 0.47 0.45 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1q48 h SER 69 CO -0.41 -0.27 -0.08 0.28 -0.87 0.00 0.00 176.83 175.48 1q48 h SER 70 N 0.04 -0.26 -0.93 4.97 0.02 -0.86 0.64 113.55 117.18 1q48 h SER 70 Ca 0.47 0.03 0.37 0.00 -0.84 0.00 0.00 61.79 61.83 1q48 h SER 70 Cb 0.86 0.10 -0.15 0.00 0.14 0.00 0.00 62.40 63.35 1q48 h SER 70 CO -0.82 -0.08 0.53 -1.20 -1.14 0.00 0.00 176.83 174.11 1q48 n SER 71 N -2.97 0.28 0.00 3.07 7.64 -0.59 -0.77 113.62 120.28 1q48 n SER 71 Ca -0.01 1.39 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1q48 n SER 71 Cb 0.06 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1q48 n SER 71 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1q48 n LEU 72 N -4.85 0.53 -0.24 -3.43 7.94 0.14 -2.27 117.00 114.82 1q48 n LEU 72 Ca 0.33 0.17 0.07 0.00 -1.11 0.00 0.00 56.01 55.47 1q48 n LEU 72 Cb 1.16 0.00 0.14 0.00 0.53 0.00 0.00 43.42 45.25 1q48 n LEU 72 CO 0.04 0.00 0.49 0.00 -1.11 0.00 0.00 177.39 176.81 1q48 n ILE 73 N -0.26 -0.29 -0.22 1.96 3.06 -0.72 0.20 119.36 123.09 1q48 n ILE 73 Ca 0.00 1.55 0.03 0.00 -2.50 0.00 0.00 62.75 61.83 1q48 n ILE 73 Cb 0.00 -2.19 0.14 0.00 0.54 0.00 0.00 39.64 38.13 1q48 n ILE 73 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 1q48 h THR 74 N 0.00 0.53 0.00 9.51 1.35 -1.03 0.28 112.91 123.55 1q48 h THR 74 Ca 0.37 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 1q48 h THR 74 Cb 0.65 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1q48 h THR 74 CO -0.68 0.04 -0.37 1.21 -0.25 0.00 0.00 175.52 175.47 1q48 n GLU 75 N -5.19 0.11 0.00 4.72 4.07 0.52 -2.16 120.64 122.71 1q48 n GLU 75 Ca 0.11 0.05 0.13 0.00 -0.06 0.00 0.00 57.16 57.39 1q48 n GLU 75 Cb 0.40 -1.59 0.41 0.00 -0.06 0.00 0.00 31.44 30.60 1q48 n GLU 75 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 1q48 n TRP 76 N -1.76 0.00 0.00 4.31 -0.00 0.79 -4.14 117.44 116.64 1q48 n TRP 76 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 1q48 n TRP 76 Cb 0.38 -0.06 0.00 0.00 -0.00 0.00 0.00 31.31 31.63 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 -0.17 0.00 -1.72 5.87 0.24 0.17 -4.85 118.33 117.87 1q48 n VAL 77 Ca 0.15 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.02 1q48 n VAL 77 Cb 0.37 -0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 32.24 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 -1.78 3.48 0.00 7.34 2.20 -0.92 -0.77 119.74 129.30 1q48 s LYS 78 Ca 0.00 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.68 1q48 s LYS 78 Cb 0.00 -4.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.06 1q48 s LYS 78 CO 0.00 -1.70 0.00 0.41 -0.36 0.00 0.00 175.35 173.70 1q48 n GLY 79 N 5.29 0.87 0.00 5.54 0.00 -0.60 -4.97 105.19 111.31 1q48 n GLY 79 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.27 2.15 -4.68 1.61 4.76 0.05 -4.83 118.16 114.95 1q48 n LYS 80 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1q48 n LYS 80 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 1q48 n LYS 80 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1q48 s SER 81 N -0.87 3.87 0.48 4.39 0.01 -1.26 -1.75 113.70 118.57 1q48 s SER 81 Ca 0.00 -1.54 0.33 0.00 1.31 0.00 0.00 55.95 56.04 1q48 s SER 81 Cb 0.00 0.17 1.56 0.00 0.21 0.00 0.00 66.02 67.95 1q48 s SER 81 CO 0.00 -0.70 1.98 -0.07 0.41 0.00 0.00 173.24 174.86 1q48 h LEU 82 N 1.56 0.00 0.09 2.44 3.38 -1.61 -2.54 115.31 118.63 1q48 h LEU 82 Ca -0.43 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.26 1q48 h LEU 82 Cb 1.28 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.06 1q48 h LEU 82 CO 0.75 0.00 -1.14 -0.08 0.09 0.00 0.00 178.44 178.06 1q48 h GLU 83 N 0.00 0.61 -0.23 1.13 4.81 -1.88 0.14 114.58 119.16 1q48 h GLU 83 Ca 0.00 -0.78 -0.08 0.00 -0.13 0.00 0.00 59.36 58.37 1q48 h GLU 83 Cb 0.25 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1q48 h GLU 83 CO 0.00 1.35 -0.17 0.93 -0.73 0.00 0.00 179.01 180.39 1q48 h GLU 84 N 0.23 0.52 0.05 1.92 3.07 -1.86 -3.21 114.58 115.31 1q48 h GLU 84 Ca -0.17 -0.25 -0.23 0.00 -0.50 0.00 0.00 59.36 58.21 1q48 h GLU 84 Cb 1.82 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.73 1q48 h GLU 84 CO 0.22 0.82 -1.03 0.00 -1.40 0.00 0.00 179.01 177.63 1q48 h ALA 85 N 0.69 0.33 -0.24 3.43 0.00 -1.59 -3.08 119.26 118.79 1q48 h ALA 85 Ca 0.04 -0.79 -0.41 0.00 0.00 0.00 0.00 54.91 53.75 1q48 h ALA 85 Cb 0.70 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 1q48 h ALA 85 CO 0.05 0.95 0.69 0.41 0.00 0.00 0.00 179.25 181.34 1q48 n GLY 86 N 1.16 3.82 0.00 0.00 0.00 0.49 -3.70 105.19 106.97 1q48 n GLY 86 Ca -0.05 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 2.02 0.00 -1.22 4.61 0.00 -1.24 -4.84 120.51 119.84 1q48 n ALA 87 Ca 0.51 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.49 1q48 n ALA 87 Cb 0.64 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 1q48 n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1q48 n ILE 88 N -0.64 0.34 -4.94 0.00 -5.35 -1.16 -4.92 119.36 102.69 1q48 n ILE 88 Ca 0.00 -0.09 -0.31 0.00 -0.27 0.00 0.00 62.75 62.09 1q48 n ILE 88 Cb 0.00 0.00 -0.14 0.00 -1.74 0.00 0.00 39.64 37.76 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 -0.17 2.07 0.61 6.28 1.02 -1.26 -4.86 119.74 123.43 1q48 s LYS 89 Ca 0.70 -0.96 0.26 0.00 0.02 0.00 0.00 55.97 55.99 1q48 s LYS 89 Cb -0.99 -2.12 0.95 0.00 -0.52 0.00 0.00 37.83 35.16 1q48 s LYS 89 CO 0.47 0.55 1.35 -2.95 -0.92 0.00 0.00 175.35 173.85 1q48 h ASN 90 N 4.98 0.00 -0.55 2.83 -1.07 -1.91 1.37 115.58 121.23 1q48 h ASN 90 Ca -0.46 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 55.81 1q48 h ASN 90 Cb 1.14 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.37 1q48 h ASN 90 CO 0.47 0.00 -0.04 0.28 0.07 0.00 0.00 177.43 178.20 1q48 h SER 91 N 0.00 1.00 0.37 6.14 0.02 -1.95 0.10 113.55 119.23 1q48 h SER 91 Ca 0.45 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1q48 h SER 91 Cb 2.73 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 65.00 1q48 h SER 91 CO -0.00 1.08 -0.18 -0.61 -1.14 0.00 0.00 176.83 175.98 1q48 h GLN 92 N 0.92 -0.48 -0.13 3.45 4.15 0.14 0.97 115.11 124.13 1q48 h GLN 92 Ca 0.16 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.65 1q48 h GLN 92 Cb 0.59 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1q48 h GLN 92 CO 0.04 -0.16 0.10 0.82 -1.93 0.00 0.00 178.83 177.69 1q48 h ILE 93 N -0.88 0.94 0.19 2.39 5.03 -1.54 -0.72 117.51 122.91 1q48 h ILE 93 Ca -0.05 -0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.68 1q48 h ILE 93 Cb 0.54 0.93 0.00 0.00 -3.03 0.00 0.00 36.82 35.26 1q48 h ILE 93 CO 0.08 0.00 -0.09 0.00 -0.68 0.00 0.00 178.15 177.46 1q48 h ALA 94 N 1.93 -0.27 -0.02 1.87 0.00 -0.82 -2.49 119.26 119.46 1q48 h ALA 94 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1q48 h ALA 94 Cb 0.24 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1q48 h ALA 94 CO -0.00 -0.25 0.24 1.49 0.00 0.00 0.00 179.25 180.73 1q48 h GLU 95 N -1.04 0.00 0.03 0.00 4.81 -0.66 0.67 114.58 118.39 1q48 h GLU 95 Ca -0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1q48 h GLU 95 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1q48 h GLU 95 CO 0.04 0.00 -0.01 0.93 -0.73 0.00 0.00 179.01 179.24 1q48 h GLU 96 N 0.00 -0.03 0.00 1.92 3.07 -1.14 -3.32 114.58 115.08 1q48 h GLU 96 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1q48 h GLU 96 Cb 0.50 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1q48 h GLU 96 CO -0.00 -0.02 0.00 1.28 -1.40 0.00 0.00 179.01 178.87 1q48 n LEU 97 N -3.54 0.63 -3.87 1.33 7.99 -0.94 -4.87 117.00 113.73 1q48 n LEU 97 Ca -0.00 0.67 -0.28 0.00 -0.01 0.00 0.00 56.01 56.39 1q48 n LEU 97 Cb 0.01 -0.59 0.02 0.00 -0.11 0.00 0.00 43.42 42.75 1q48 n LEU 97 CO 0.01 -0.58 0.03 -0.62 -1.51 0.00 0.00 177.39 174.72 1q48 n GLU 98 N -2.21 -5.09 -3.06 3.23 1.02 0.23 -4.94 120.64 109.82 1q48 n GLU 98 Ca 0.02 0.58 -0.32 0.00 -0.02 0.00 0.00 57.16 57.42 1q48 n GLU 98 Cb 0.21 -5.32 -0.05 0.00 -0.02 0.00 0.00 31.44 26.26 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 -7.09 4.00 -0.70 -4.62 2.34 -1.25 -4.91 118.68 106.45 1q48 s LEU 99 Ca 0.43 1.25 -0.37 0.00 0.06 0.00 0.00 54.13 55.50 1q48 s LEU 99 Cb -0.22 -4.07 -0.19 0.00 -0.56 0.00 0.00 46.19 41.15 1q48 s LEU 99 CO 0.83 -0.26 2.39 -2.65 -1.06 0.00 0.00 176.35 175.61 1q48 n PRO 100 N -0.61 0.12 0.00 1.48 -0.02 -1.26 -4.76 135.00 129.95 1q48 n PRO 100 Ca 0.03 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1q48 n PRO 100 Cb 0.53 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 8.03 0.79 -0.10 0.52 -0.04 -1.26 -3.90 135.00 139.05 1q48 n PRO 101 Ca 0.58 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.90 1q48 n PRO 101 Cb 0.03 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 1q48 n PRO 101 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1q48 h VAL 102 N 0.01 1.28 0.00 0.52 -1.51 -2.04 -3.34 116.25 111.17 1q48 h VAL 102 Ca 0.00 -1.61 -0.06 0.00 -1.23 0.00 0.00 66.70 63.79 1q48 h VAL 102 Cb 0.41 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1q48 h VAL 102 CO 0.00 0.53 -1.57 0.29 -1.23 0.00 0.00 177.57 175.59 1q48 n LYS 103 N -4.09 1.02 -2.66 5.19 5.02 -1.25 -4.96 118.16 116.43 1q48 n LYS 103 Ca -0.04 -0.07 -0.05 0.00 -2.02 0.00 0.00 58.31 56.14 1q48 n LYS 103 Cb 0.57 -1.26 -0.01 0.00 -0.02 0.00 0.00 35.03 34.31 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 -2.05 -0.08 0.10 -0.18 0.31 -1.25 -4.73 118.33 110.44 1q48 n VAL 104 Ca -0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.09 1q48 n VAL 104 Cb 0.47 -0.26 -0.14 0.00 -0.91 0.00 0.00 33.84 33.00 1q48 n VAL 104 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1q48 h HIS 105 N -0.08 0.53 0.53 3.52 6.17 -1.93 -3.01 115.15 120.89 1q48 h HIS 105 Ca -0.08 -0.39 -0.03 0.00 0.71 0.00 0.00 60.37 60.58 1q48 h HIS 105 Cb 1.06 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.97 1q48 h HIS 105 CO 0.86 1.34 -0.26 0.00 0.71 0.00 0.00 177.93 180.57 1q48 h SER 107 N -0.73 -1.39 -0.99 0.00 0.02 -1.90 -0.01 113.55 108.56 1q48 h SER 107 Ca -0.07 0.16 0.35 0.00 -0.84 0.00 0.00 61.79 61.38 1q48 h SER 107 Cb 0.56 0.53 -0.17 0.00 0.14 0.00 0.00 62.40 63.46 1q48 h SER 107 CO 0.12 -0.50 0.44 0.40 -1.14 0.00 0.00 176.83 176.15 1q48 h ILE 108 N -0.65 0.13 -0.28 3.27 2.04 -1.53 0.77 117.51 121.26 1q48 h ILE 108 Ca 0.03 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1q48 h ILE 108 Cb 0.70 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1q48 h ILE 108 CO -0.30 0.02 0.09 -0.07 0.00 0.00 0.00 178.15 177.90 1q48 h LEU 109 N 0.12 0.39 0.16 1.44 4.07 0.05 -2.21 115.31 119.33 1q48 h LEU 109 Ca 0.75 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 58.51 1q48 h LEU 109 Cb 1.81 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 43.43 1q48 h LEU 109 CO -0.73 0.48 -0.17 0.00 -1.08 0.00 0.00 178.44 176.94 1q48 h ALA 110 N 0.93 -0.87 -0.01 1.53 0.00 0.13 -1.40 119.26 119.56 1q48 h ALA 110 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1q48 h ALA 110 Cb 0.22 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1q48 h ALA 110 CO -0.00 -0.88 -0.02 1.49 0.00 0.00 0.00 179.25 179.83 1q48 h GLU 111 N -0.33 -0.01 -1.13 0.00 4.22 -1.43 0.73 114.58 116.62 1q48 h GLU 111 Ca -0.02 0.00 0.33 0.00 0.08 0.00 0.00 59.36 59.75 1q48 h GLU 111 Cb 0.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1q48 h GLU 111 CO -0.03 -0.01 1.19 -3.47 -2.18 0.00 0.00 179.01 174.51 1q48 n ASP 112 N -2.79 0.00 0.09 1.04 2.03 -0.83 -0.33 116.55 115.76 1q48 n ASP 112 Ca -0.00 0.75 -0.04 0.00 0.52 0.00 0.00 54.79 56.02 1q48 n ASP 112 Cb 0.01 -0.28 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 1q48 n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q48 h ALA 113 N 0.57 -0.38 -1.08 -1.67 0.00 0.16 -2.32 119.26 114.53 1q48 h ALA 113 Ca 0.54 -0.06 0.32 0.00 0.00 0.00 0.00 54.91 55.70 1q48 h ALA 113 Cb 2.90 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 20.68 1q48 h ALA 113 CO -0.01 -0.36 0.67 0.97 0.00 0.00 0.00 179.25 180.52 1q48 h ILE 114 N -0.77 0.37 -0.39 0.00 6.09 0.01 0.53 117.51 123.36 1q48 h ILE 114 Ca -0.03 -0.11 -0.07 0.00 -1.37 0.00 0.00 64.86 63.28 1q48 h ILE 114 Cb 0.22 0.01 -0.01 0.00 0.47 0.00 0.00 36.82 37.51 1q48 h ILE 114 CO 0.05 0.06 -0.02 0.50 -3.07 0.00 0.00 178.15 175.67 1q48 h LYS 115 N 0.33 0.70 -0.07 2.19 3.64 -1.46 -0.87 116.57 121.03 1q48 h LYS 115 Ca 0.69 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.85 1q48 h LYS 115 Cb 1.74 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.50 1q48 h LYS 115 CO -0.45 0.81 0.02 0.00 -2.27 0.00 0.00 179.45 177.56 1q48 h ALA 116 N 0.87 0.08 0.47 5.00 0.00 0.61 -0.74 119.26 125.54 1q48 h ALA 116 Ca 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1q48 h ALA 116 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1q48 h ALA 116 CO 0.02 -0.45 -0.23 0.00 0.00 0.00 0.00 179.25 178.60 1q48 h ALA 117 N 1.05 -0.63 -1.00 0.00 0.00 -1.16 -1.73 119.26 115.78 1q48 h ALA 117 Ca 0.03 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.05 1q48 h ALA 117 Cb 0.02 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1q48 h ALA 117 CO -0.04 -0.85 0.67 0.82 0.00 0.00 0.00 179.25 179.85 1q48 h ILE 118 N -0.64 0.56 0.52 0.00 2.04 -1.00 0.38 117.51 119.37 1q48 h ILE 118 Ca -0.06 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1q48 h ILE 118 Cb 0.49 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1q48 h ILE 118 CO 0.11 0.06 -0.25 0.00 0.00 0.00 0.00 178.15 178.07 1q48 h ALA 119 N 1.59 -0.70 0.00 1.87 0.00 -0.29 -1.41 119.26 120.32 1q48 h ALA 119 Ca 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1q48 h ALA 119 Cb 1.50 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1q48 h ALA 119 CO -0.21 -0.76 0.00 -0.25 0.00 0.00 0.00 179.25 178.03 1q48 n ASP 120 N -5.30 0.19 0.02 0.00 8.00 -0.42 -0.38 116.55 118.66 1q48 n ASP 120 Ca -0.11 0.58 -0.21 0.00 0.71 0.00 0.00 54.79 55.75 1q48 n ASP 120 Cb 0.32 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.68 1q48 n ASP 120 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1q48 h TYR 121 N 0.00 0.47 -0.22 1.24 3.20 -0.36 -3.11 116.97 118.19 1q48 h TYR 121 Ca 0.00 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.52 1q48 h TYR 121 Cb 0.07 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1q48 h TYR 121 CO 0.00 1.52 0.00 1.17 -1.64 0.00 0.00 178.16 179.21 1q48 n LYS 122 N -3.94 2.09 -0.10 1.82 4.81 -0.59 -4.06 118.16 118.18 1q48 n LYS 122 Ca -0.23 -1.63 -0.12 0.00 -0.87 0.00 0.00 58.31 55.46 1q48 n LYS 122 Cb 0.90 -1.45 -0.14 0.00 0.02 0.00 0.00 35.03 34.35 1q48 n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1q48 n ALA 123 N 0.87 1.50 0.74 3.14 0.00 0.49 -4.20 120.51 123.06 1q48 n ALA 123 Ca 0.17 -1.22 0.11 0.00 0.00 0.00 0.00 53.44 52.50 1q48 n ALA 123 Cb 0.47 -0.14 0.47 0.00 0.00 0.00 0.00 19.45 20.25 1q48 n ALA 123 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1q48 n LYS 124 N -2.88 0.03 0.24 0.00 4.81 -1.18 0.62 118.16 119.80 1q48 n LYS 124 Ca -0.35 0.14 0.04 0.00 -0.87 0.00 0.00 58.31 57.27 1q48 n LYS 124 Cb 1.08 -1.54 0.22 0.00 0.02 0.00 0.00 35.03 34.82 1q48 n LYS 124 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1q48 h GLN 125 N 0.00 0.00 0.00 1.64 4.15 -1.73 -3.42 115.11 115.75 1q48 h GLN 125 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1q48 h GLN 125 Cb 0.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1q48 h GLN 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.31 1q48 n GLY 126 N -1.32 3.84 0.33 2.39 0.00 -1.23 -4.96 105.19 104.25 1q48 n GLY 126 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 1q48 n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1q48 h LEU 127 N 0.00 0.84 0.00 0.99 3.38 -1.80 -3.44 115.31 115.27 1q48 h LEU 127 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1q48 h LEU 127 Cb 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1q48 h LEU 127 CO 0.00 0.70 0.00 -0.62 0.09 0.00 0.00 178.44 178.61 1q48 n GLU 128 N -4.35 -0.90 -4.47 1.13 1.02 0.20 -4.87 120.64 108.39 1q48 n GLU 128 Ca 0.06 0.22 -0.24 0.00 -0.02 0.00 0.00 57.16 57.18 1q48 n GLU 128 Cb 0.12 -4.61 -0.09 0.00 -0.02 0.00 0.00 31.44 26.84 1q48 n GLU 128 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1q48 s HIS 129 N -0.96 1.77 0.00 -0.32 3.76 -1.26 -4.96 115.29 113.32 1q48 s HIS 129 Ca 0.00 -1.27 0.00 0.00 -0.15 0.00 0.00 55.06 53.64 1q48 s HIS 129 Cb 0.00 -1.10 0.00 0.00 1.11 0.00 0.00 32.58 32.59 1q48 s HIS 129 CO 0.00 -0.32 0.00 -2.39 -0.85 0.00 0.00 174.74 171.18 1q48 n HIS 130 N -0.82 0.00 -1.58 1.40 1.44 -1.26 -4.86 115.22 109.54 1q48 n HIS 130 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 1q48 n HIS 130 Cb 0.65 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.76 1q48 n HIS 130 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1q48 n HIS 131 N 0.00 0.00 -2.85 -1.40 1.44 -1.26 -5.08 115.22 106.07 1q48 n HIS 131 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1q48 n HIS 131 Cb 0.00 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.14 1q48 n HIS 131 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1q48 n HIS 132 N 0.00 0.03 -0.57 -1.40 -0.00 -1.26 -5.11 115.22 106.91 1q48 n HIS 132 Ca 0.00 -2.98 0.00 0.00 0.46 0.00 0.00 57.72 55.20 1q48 n HIS 132 Cb 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.89 1q48 n HIS 132 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1q48 n HIS 133 N 0.03 0.00 -0.42 1.57 8.25 -1.26 -5.41 115.22 117.98 1q48 n HIS 133 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1q48 n HIS 133 Cb 0.76 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.87 1q48 n HIS 133 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59