#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q48 h ALA 2 N 0.00 -0.39 -0.71 3.04 0.00 -2.06 -0.16 119.26 118.97 1q48 h ALA 2 Ca 0.00 0.04 -0.52 0.00 0.00 0.00 0.00 54.91 54.43 1q48 h ALA 2 Cb 0.00 0.73 -0.21 0.00 0.00 0.00 0.00 17.79 18.31 1q48 h ALA 2 CO 0.00 -0.82 0.64 0.66 0.00 0.00 0.00 179.25 179.72 1q48 n TYR 3 N -5.42 2.26 0.33 0.00 4.01 -1.26 -4.63 117.16 112.45 1q48 n TYR 3 Ca -0.02 -2.35 0.10 0.00 -0.16 0.00 0.00 57.90 55.47 1q48 n TYR 3 Cb 0.34 -1.22 0.52 0.00 -0.31 0.00 0.00 39.34 38.68 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 2.08 0.00 -3.31 7.72 0.87 -1.55 -3.40 113.55 115.97 1q48 h SER 4 Ca 0.44 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.69 1q48 h SER 4 Cb 0.74 0.00 0.13 0.00 -0.44 0.00 0.00 62.40 62.84 1q48 h SER 4 CO 1.13 0.00 0.28 -1.84 -0.53 0.00 0.00 176.83 175.87 1q48 n GLU 5 N -2.71 -1.19 -2.44 2.24 0.00 -1.26 -4.79 120.64 110.49 1q48 n GLU 5 Ca -0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 57.16 55.63 1q48 n GLU 5 Cb 0.59 -1.05 -0.01 0.00 0.00 0.00 0.00 31.44 30.96 1q48 n GLU 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1q48 n LYS 6 N -3.22 -3.73 -4.14 3.44 5.02 -1.26 -4.99 118.16 109.28 1q48 n LYS 6 Ca 0.12 2.77 -0.30 0.00 -2.02 0.00 0.00 58.31 58.88 1q48 n LYS 6 Cb 0.43 -3.67 -0.08 0.00 -0.02 0.00 0.00 35.03 31.69 1q48 n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1q48 s VAL 7 N -0.45 3.93 0.00 -0.18 0.11 -1.26 -5.12 120.40 117.43 1q48 s VAL 7 Ca -0.08 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 57.90 1q48 s VAL 7 Cb 0.01 -2.88 0.00 0.00 -1.53 0.00 0.00 36.38 31.97 1q48 s VAL 7 CO 0.22 0.09 0.00 -0.38 -3.33 0.00 0.00 175.10 171.70 1q48 n ILE 8 N 0.48 0.00 -1.62 7.04 2.08 -1.26 -5.11 119.36 120.96 1q48 n ILE 8 Ca -0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.20 1q48 n ILE 8 Cb 0.52 -0.79 0.00 0.00 -0.75 0.00 0.00 39.64 38.62 1q48 n ILE 8 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1q48 n ASP 9 N 0.00 0.00 -4.08 4.38 9.92 -1.26 -5.10 116.55 120.41 1q48 n ASP 9 Ca 0.00 -0.24 -0.29 0.00 -0.53 0.00 0.00 54.79 53.73 1q48 n ASP 9 Cb 0.00 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.31 1q48 n ASP 9 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1q48 s HIS 10 N 1.14 2.06 -0.58 1.24 3.76 -1.26 -4.85 115.29 116.79 1q48 s HIS 10 Ca 0.00 -0.94 -0.20 0.00 -0.15 0.00 0.00 55.06 53.77 1q48 s HIS 10 Cb 0.00 -1.46 0.03 0.00 1.11 0.00 0.00 32.58 32.26 1q48 s HIS 10 CO 0.00 -0.46 0.59 0.66 -0.85 0.00 0.00 174.74 174.68 1q48 n TYR 11 N 4.06 -2.20 -2.32 1.40 4.02 -1.26 -4.70 117.16 116.15 1q48 n TYR 11 Ca -0.20 0.92 -0.38 0.00 -0.01 0.00 0.00 57.90 58.23 1q48 n TYR 11 Cb 0.52 -2.04 -0.03 0.00 -0.02 0.00 0.00 39.34 37.76 1q48 n TYR 11 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1q48 s GLU 12 N -3.43 2.99 -0.04 -0.72 2.56 -1.26 -4.78 118.70 114.03 1q48 s GLU 12 Ca 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 54.97 54.99 1q48 s GLU 12 Cb -0.02 -4.57 -0.28 0.00 2.00 0.00 0.00 34.13 31.26 1q48 s GLU 12 CO 0.82 -2.52 0.70 -0.91 -0.56 0.00 0.00 175.26 172.79 1q48 h ASN 13 N 11.72 0.41 -0.00 -1.70 2.35 -2.04 -3.32 115.58 123.00 1q48 h ASN 13 Ca -0.14 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 1q48 h ASN 13 Cb 1.07 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 1q48 h ASN 13 CO 1.28 1.57 0.01 -0.65 -1.65 0.00 0.00 177.43 177.99 1q48 h PRO 14 N 0.07 0.00 -2.47 0.81 0.11 -1.98 -3.48 132.00 125.06 1q48 h PRO 14 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1q48 h PRO 14 Cb 2.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.15 1q48 h PRO 14 CO 0.14 0.00 -0.59 -2.13 -0.21 0.00 0.00 178.00 175.21 1q48 n ARG 15 N -3.30 -3.09 -1.64 1.05 3.00 -1.25 -4.69 116.66 106.73 1q48 n ARG 15 Ca -0.03 2.27 -0.45 0.00 -0.00 0.00 0.00 57.85 59.64 1q48 n ARG 15 Cb 0.09 -2.53 -0.04 0.00 0.00 0.00 0.00 32.46 29.98 1q48 n ARG 15 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1q48 n ASN 16 N -0.47 3.63 -1.68 6.15 5.15 -1.26 -4.82 115.26 121.96 1q48 n ASN 16 Ca 0.00 0.76 0.01 0.00 -0.60 0.00 0.00 54.58 54.75 1q48 n ASN 16 Cb 0.00 -1.46 0.32 0.00 -0.53 0.00 0.00 39.78 38.10 1q48 n ASN 16 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1q48 n VAL 17 N 5.95 2.74 -4.76 3.44 0.31 -1.26 -5.06 118.33 119.69 1q48 n VAL 17 Ca 0.24 -1.71 0.00 0.00 -0.01 0.00 0.00 64.34 62.86 1q48 n VAL 17 Cb 0.37 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1q48 n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q48 n GLY 18 N -0.09 0.56 0.00 2.92 0.00 -1.26 -4.74 105.19 102.58 1q48 n GLY 18 Ca 0.33 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.14 -0.47 0.00 1.61 3.41 -1.26 -5.05 113.62 109.73 1q48 n SER 19 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1q48 n SER 19 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1q48 n SER 19 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1q48 n LEU 20 N 0.00 0.00 -0.95 1.04 7.94 -1.26 -4.97 117.00 118.80 1q48 n LEU 20 Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 1q48 n LEU 20 Cb 0.00 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.18 1q48 n LEU 20 CO 0.00 0.00 0.69 -0.90 -1.11 0.00 0.00 177.39 176.07 1q48 n ASP 21 N 0.00 2.75 0.00 1.96 5.68 -1.26 -4.90 116.55 120.78 1q48 n ASP 21 Ca 0.00 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1q48 n ASP 21 Cb 0.00 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1q48 n ASP 21 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1q48 n LYS 22 N 0.99 0.00 0.00 0.11 4.81 -1.26 -4.49 118.16 118.32 1q48 n LYS 22 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1q48 n LYS 22 Cb 0.44 -0.38 0.00 0.00 0.02 0.00 0.00 35.03 35.11 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 0.00 0.53 -3.27 1.64 4.01 -1.26 -4.75 118.16 115.06 1q48 n LYS 23 Ca 0.00 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.61 1q48 n LYS 23 Cb 0.00 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 33.26 1q48 n LYS 23 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1q48 s ASP 24 N -0.25 5.86 0.00 4.39 -1.08 -1.26 -5.01 116.67 119.32 1q48 s ASP 24 Ca 0.00 -0.15 0.22 0.00 -0.52 0.00 0.00 52.55 52.10 1q48 s ASP 24 Cb 0.00 -1.15 0.41 0.00 -1.46 0.00 0.00 42.92 40.71 1q48 s ASP 24 CO 0.00 -0.57 1.37 -1.20 0.52 0.00 0.00 175.17 175.29 1q48 n SER 25 N -1.78 3.38 -1.73 -0.34 7.64 -1.26 -4.31 113.62 115.22 1q48 n SER 25 Ca 0.02 -1.96 -0.18 0.00 1.01 0.00 0.00 58.87 57.75 1q48 n SER 25 Cb 0.58 -0.25 0.07 0.00 -1.01 0.00 0.00 64.21 63.61 1q48 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1q48 n ASN 26 N 1.39 4.40 -3.46 6.43 3.02 -1.26 -4.90 115.26 120.88 1q48 n ASN 26 Ca 0.18 -3.79 -0.23 0.00 -0.03 0.00 0.00 54.58 50.71 1q48 n ASN 26 Cb 0.58 -0.46 -0.12 0.00 -0.61 0.00 0.00 39.78 39.17 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q48 s VAL 27 N -4.27 -0.20 0.05 2.41 1.01 -1.26 -2.02 120.40 116.12 1q48 s VAL 27 Ca 0.49 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1q48 s VAL 27 Cb 0.41 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1q48 s VAL 27 CO 0.01 -0.64 0.92 -0.83 0.00 0.00 0.00 175.10 174.57 1q48 s GLY 28 N 2.06 2.92 -0.12 4.51 0.00 -0.72 -4.89 107.32 111.07 1q48 s GLY 28 Ca 0.11 0.49 -0.02 0.00 0.00 0.00 0.00 44.72 45.30 1q48 s GLY 28 CO -0.30 1.48 -0.04 -1.59 0.00 0.00 0.00 173.10 172.66 1q48 s THR 29 N 0.43 3.95 -0.38 0.90 2.01 -1.26 -1.97 115.64 119.31 1q48 s THR 29 Ca 0.47 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1q48 s THR 29 Cb -0.22 -2.69 0.13 0.00 0.01 0.00 0.00 72.50 69.74 1q48 s THR 29 CO 0.27 0.54 0.21 -0.83 -0.69 0.00 0.00 174.62 174.13 1q48 s GLY 30 N -0.14 1.19 -0.16 4.40 0.00 -0.97 -3.71 107.32 107.92 1q48 s GLY 30 Ca 0.03 -2.13 -0.04 0.00 0.00 0.00 0.00 44.72 42.58 1q48 s GLY 30 CO 0.02 1.84 -0.03 -0.29 0.00 0.00 0.00 173.10 174.65 1q48 s MET 31 N 0.84 3.66 0.23 2.90 1.75 -1.26 -1.01 119.30 126.41 1q48 s MET 31 Ca 0.17 -0.52 0.04 0.00 -1.25 0.00 0.00 55.69 54.13 1q48 s MET 31 Cb -0.23 -2.95 -0.05 0.00 2.84 0.00 0.00 34.83 34.44 1q48 s MET 31 CO -0.02 0.19 -0.02 0.14 -0.65 0.00 0.00 175.02 174.67 1q48 s VAL 32 N 0.49 1.12 -0.04 10.11 -7.23 -0.58 -5.03 120.40 119.25 1q48 s VAL 32 Ca -0.03 -2.05 -0.02 0.00 -1.81 0.00 0.00 61.98 58.08 1q48 s VAL 32 Cb -0.14 -2.32 0.03 0.00 0.56 0.00 0.00 36.38 34.51 1q48 s VAL 32 CO 0.03 -0.35 0.05 -0.83 -0.31 0.00 0.00 175.10 173.69 1q48 s GLY 33 N -3.31 0.20 -0.56 2.32 0.00 -1.26 -2.42 107.32 102.28 1q48 s GLY 33 Ca 0.28 0.20 -0.03 0.00 0.00 0.00 0.00 44.72 45.17 1q48 s GLY 33 CO 0.08 1.26 0.38 0.00 0.00 0.00 0.00 173.10 174.82 1q48 s ALA 34 N 1.97 3.46 0.00 3.20 0.00 0.47 -4.96 121.76 125.90 1q48 s ALA 34 Ca 0.02 -3.05 -0.00 0.00 0.00 0.00 0.00 51.96 48.93 1q48 s ALA 34 Cb -0.12 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 1q48 s ALA 34 CO -0.03 -2.02 1.95 -0.35 0.00 0.00 0.00 175.76 175.31 1q48 n PRO 35 N 3.83 0.98 0.00 0.00 -0.04 -1.26 -0.79 135.00 137.72 1q48 n PRO 35 Ca 0.05 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1q48 n PRO 35 Cb 0.39 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1q48 n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q48 n ALA 36 N 1.61 1.55 0.00 0.55 0.00 -1.26 -5.03 120.51 117.93 1q48 n ALA 36 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1q48 n ALA 36 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1q48 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q48 h GLY 38 N 0.00 0.00 0.00 0.00 0.00 -1.80 -3.44 103.07 97.83 1q48 h GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q48 h GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1q48 n ASP 39 N -2.93 -5.38 -4.80 0.19 8.00 0.03 -4.67 116.55 106.99 1q48 n ASP 39 Ca -0.01 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.11 1q48 n ASP 39 Cb 0.20 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 1q48 n ASP 39 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1q48 s VAL 40 N 0.00 4.58 -0.06 2.53 1.01 -1.15 -0.40 120.40 126.91 1q48 s VAL 40 Ca 0.00 1.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.36 1q48 s VAL 40 Cb 0.00 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1q48 s VAL 40 CO 0.00 0.49 0.12 -0.32 0.00 0.00 0.00 175.10 175.39 1q48 s MET 41 N -1.27 0.03 -0.23 2.72 1.75 -1.01 -3.13 119.30 118.16 1q48 s MET 41 Ca 0.34 0.40 0.02 0.00 -1.25 0.00 0.00 55.69 55.20 1q48 s MET 41 Cb -0.20 -0.26 0.05 0.00 2.84 0.00 0.00 34.83 37.25 1q48 s MET 41 CO 0.22 -0.23 -0.13 -1.14 -0.65 0.00 0.00 175.02 173.09 1q48 s GLN 42 N 1.62 2.39 -0.27 4.11 0.74 -0.97 -1.52 119.66 125.75 1q48 s GLN 42 Ca -0.04 -1.11 0.02 0.00 0.05 0.00 0.00 55.36 54.29 1q48 s GLN 42 Cb -0.12 -2.71 0.07 0.00 1.10 0.00 0.00 33.01 31.35 1q48 s GLN 42 CO -0.05 -0.45 -0.05 -1.17 -0.55 0.00 0.00 175.29 173.02 1q48 s LEU 43 N 1.21 3.47 -0.16 3.68 0.20 -0.18 -1.54 118.68 125.37 1q48 s LEU 43 Ca -0.04 -1.53 -0.03 0.00 0.69 0.00 0.00 54.13 53.22 1q48 s LEU 43 Cb -0.17 -1.44 -0.03 0.00 -0.43 0.00 0.00 46.19 44.12 1q48 s LEU 43 CO -0.08 -0.26 -0.04 -1.58 -0.29 0.00 0.00 176.35 174.10 1q48 s GLN 44 N 1.15 3.63 0.01 1.98 0.74 0.15 -2.28 119.66 125.04 1q48 s GLN 44 Ca -0.03 -0.54 0.03 0.00 0.05 0.00 0.00 55.36 54.88 1q48 s GLN 44 Cb -0.19 -2.90 -0.03 0.00 1.10 0.00 0.00 33.01 30.98 1q48 s GLN 44 CO -0.07 0.21 -0.06 0.96 -0.55 0.00 0.00 175.29 175.78 1q48 s ILE 45 N 0.45 3.71 -0.08 -2.34 -4.36 -0.83 0.11 121.20 117.85 1q48 s ILE 45 Ca -0.04 -0.79 -0.01 0.00 -0.26 0.00 0.00 60.65 59.55 1q48 s ILE 45 Cb -0.14 -2.63 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 1q48 s ILE 45 CO 0.03 0.37 -0.04 -0.75 0.24 0.00 0.00 174.94 174.79 1q48 s LYS 46 N -1.51 2.93 0.13 0.37 2.20 -0.99 -1.76 119.74 121.12 1q48 s LYS 46 Ca 0.18 -0.49 0.08 0.00 -0.36 0.00 0.00 55.97 55.38 1q48 s LYS 46 Cb -0.11 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 1q48 s LYS 46 CO 0.09 0.64 -0.11 0.08 -0.36 0.00 0.00 175.35 175.68 1q48 s VAL 47 N -0.71 3.22 -0.14 4.02 1.01 -0.86 -3.09 120.40 123.85 1q48 s VAL 47 Ca 0.11 -1.44 -0.26 0.00 0.00 0.00 0.00 61.98 60.39 1q48 s VAL 47 Cb -0.11 -2.53 -0.26 0.00 0.00 0.00 0.00 36.38 33.48 1q48 s VAL 47 CO 0.02 0.03 0.69 -0.78 0.00 0.00 0.00 175.10 175.06 1q48 h ASP 48 N 3.38 0.09 0.00 3.32 3.58 -1.73 -3.46 116.42 121.61 1q48 h ASP 48 Ca -0.48 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 56.06 1q48 h ASP 48 Cb 1.18 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1q48 h ASP 48 CO 0.52 1.17 0.00 -0.90 -2.88 0.00 0.00 179.24 177.15 1q48 n ASP 49 N -4.47 0.00 -1.87 2.28 5.68 -1.26 -4.97 116.55 111.94 1q48 n ASP 49 Ca -0.15 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.06 1q48 n ASP 49 Cb 0.59 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.84 1q48 n ASP 49 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1q48 n ASN 50 N 0.00 4.33 0.00 -1.12 6.94 -1.26 -4.86 115.26 119.29 1q48 n ASN 50 Ca 0.00 -3.34 0.00 0.00 -0.02 0.00 0.00 54.58 51.22 1q48 n ASN 50 Cb 0.00 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 36.68 1q48 n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1q48 n GLY 51 N -0.47 1.78 3.80 4.83 0.00 -1.26 -4.99 105.19 108.89 1q48 n GLY 51 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.32 4.34 -0.45 -0.61 -1.09 -1.26 -3.04 121.20 115.77 1q48 s ILE 52 Ca 0.00 1.59 -0.18 0.00 -2.23 0.00 0.00 60.65 59.83 1q48 s ILE 52 Cb 0.00 -3.84 0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1q48 s ILE 52 CO 0.00 -0.01 0.53 -0.63 -1.23 0.00 0.00 174.94 173.60 1q48 s ILE 53 N -1.80 4.99 -0.00 2.92 1.01 -0.82 -2.08 121.20 125.41 1q48 s ILE 53 Ca 0.53 -0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.65 1q48 s ILE 53 Cb -0.15 -4.15 -0.26 0.00 0.01 0.00 0.00 42.46 37.92 1q48 s ILE 53 CO 0.20 -0.57 1.05 -0.08 0.00 0.00 0.00 174.94 175.54 1q48 h GLU 54 N 8.83 0.40 -4.57 2.79 4.22 -1.86 0.13 114.58 124.52 1q48 h GLU 54 Ca -0.27 -0.48 -0.22 0.00 0.08 0.00 0.00 59.36 58.47 1q48 h GLU 54 Cb 1.10 0.15 -0.15 0.00 0.50 0.00 0.00 28.75 30.36 1q48 h GLU 54 CO 0.86 1.16 -0.66 0.34 -2.18 0.00 0.00 179.01 178.53 1q48 s ASP 55 N -6.85 0.72 -0.08 1.04 2.15 -1.25 -4.62 116.67 107.77 1q48 s ASP 55 Ca -0.13 -1.17 -0.02 0.00 0.43 0.00 0.00 52.55 51.66 1q48 s ASP 55 Cb 0.03 0.21 0.03 0.00 -0.30 0.00 0.00 42.92 42.89 1q48 s ASP 55 CO 0.83 -0.65 0.01 0.00 -0.17 0.00 0.00 175.17 175.20 1q48 s ALA 56 N -3.87 0.66 -0.12 3.66 0.00 -1.26 -2.35 121.76 118.49 1q48 s ALA 56 Ca 0.22 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.91 1q48 s ALA 56 Cb 0.07 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 1q48 s ALA 56 CO 0.02 -0.55 0.30 0.21 0.00 0.00 0.00 175.76 175.74 1q48 s LYS 57 N 1.99 4.06 0.22 0.00 2.47 0.12 -4.98 119.74 123.62 1q48 s LYS 57 Ca 0.04 0.14 0.01 0.00 -1.56 0.00 0.00 55.97 54.60 1q48 s LYS 57 Cb -0.13 -3.34 -0.05 0.00 -1.46 0.00 0.00 37.83 32.85 1q48 s LYS 57 CO -0.05 0.42 0.09 -0.59 0.16 0.00 0.00 175.35 175.38 1q48 s PHE 58 N -0.11 1.36 -0.30 4.03 -0.71 -1.26 -0.68 117.98 120.32 1q48 s PHE 58 Ca 0.18 -1.21 -0.09 0.00 -1.04 0.00 0.00 56.93 54.77 1q48 s PHE 58 Cb -0.14 -0.77 0.18 0.00 -1.21 0.00 0.00 43.02 41.09 1q48 s PHE 58 CO 0.06 -0.40 0.97 0.21 -1.34 0.00 0.00 175.22 174.73 1q48 s LYS 59 N -4.05 0.23 0.09 1.99 2.20 -0.59 -4.95 119.74 114.67 1q48 s LYS 59 Ca 0.35 0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 56.22 1q48 s LYS 59 Cb 0.07 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1q48 s LYS 59 CO 0.11 -0.35 0.33 0.95 -0.36 0.00 0.00 175.35 176.03 1q48 s THR 60 N 2.94 5.22 -0.30 3.43 -4.23 -1.26 -2.28 115.64 119.15 1q48 s THR 60 Ca 0.14 0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.68 1q48 s THR 60 Cb -0.07 -3.61 0.18 0.00 1.34 0.00 0.00 72.50 70.34 1q48 s THR 60 CO -0.18 0.17 0.67 -0.47 -0.54 0.00 0.00 174.62 174.27 1q48 s TYR 61 N -1.51 -1.41 0.00 3.99 5.04 -1.18 -4.96 117.35 117.31 1q48 s TYR 61 Ca 0.36 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.62 1q48 s TYR 61 Cb -0.13 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.73 1q48 s TYR 61 CO 0.22 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 174.08 1q48 n GLY 62 N 5.42 3.95 3.52 8.97 0.00 -1.26 -2.91 105.19 122.89 1q48 n GLY 62 Ca -0.03 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 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 4.79 4.98 0.00 0.00 0.00 -1.26 -3.91 105.19 109.80 1q48 n GLY 64 Ca -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1q48 n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q48 n SER 65 N -0.00 0.00 0.02 1.61 7.64 -1.26 -4.88 113.62 116.74 1q48 n SER 65 Ca 0.50 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.50 1q48 n SER 65 Cb 0.47 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.83 1q48 n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q48 n ALA 66 N 0.00 3.47 -0.32 -0.43 0.00 -1.25 -4.06 120.51 117.92 1q48 n ALA 66 Ca 0.00 -0.36 0.30 0.00 0.00 0.00 0.00 53.44 53.38 1q48 n ALA 66 Cb 0.00 -1.08 0.64 0.00 0.00 0.00 0.00 19.45 19.01 1q48 n ALA 66 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1q48 h ILE 67 N 0.00 0.45 -0.32 0.00 5.03 -1.90 0.48 117.51 121.25 1q48 h ILE 67 Ca 0.00 -0.06 -0.13 0.00 -0.12 0.00 0.00 64.86 64.54 1q48 h ILE 67 Cb 0.59 0.26 -0.00 0.00 -3.03 0.00 0.00 36.82 34.64 1q48 h ILE 67 CO 0.00 0.03 -0.33 0.00 -0.68 0.00 0.00 178.15 177.17 1q48 h ALA 68 N 1.52 0.47 0.38 1.87 0.00 -1.98 -3.03 119.26 118.49 1q48 h ALA 68 Ca 0.59 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1q48 h ALA 68 Cb 1.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1q48 h ALA 68 CO -0.15 0.52 -0.18 0.66 0.00 0.00 0.00 179.25 180.09 1q48 h SER 69 N 0.55 -0.44 -1.13 0.00 4.64 -0.35 -2.48 113.55 114.34 1q48 h SER 69 Ca 0.05 0.02 0.33 0.00 -0.47 0.00 0.00 61.79 61.71 1q48 h SER 69 Cb 0.91 0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.07 1q48 h SER 69 CO 0.08 -0.21 1.19 -0.24 -0.87 0.00 0.00 176.83 176.78 1q48 n SER 70 N -3.97 0.00 0.03 4.97 2.88 -0.44 0.21 113.62 117.30 1q48 n SER 70 Ca -0.06 0.75 -0.19 0.00 -1.33 0.00 0.00 58.87 58.04 1q48 n SER 70 Cb 0.20 -0.28 -0.13 0.00 -0.75 0.00 0.00 64.21 63.25 1q48 n SER 70 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1q48 h SER 71 N 0.00 0.47 0.21 -3.46 0.87 -1.35 -2.47 113.55 107.82 1q48 h SER 71 Ca 0.54 -0.88 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1q48 h SER 71 Cb 2.91 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 64.72 1q48 h SER 71 CO -0.01 1.31 -0.10 0.25 -0.53 0.00 0.00 176.83 177.75 1q48 h LEU 72 N -0.30 -0.24 -0.87 2.23 5.85 0.29 -0.80 115.31 121.47 1q48 h LEU 72 Ca -0.11 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1q48 h LEU 72 Cb 1.49 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.53 1q48 h LEU 72 CO 0.13 -0.13 0.56 -0.29 -0.34 0.00 0.00 178.44 178.38 1q48 h ILE 73 N -0.33 1.15 0.00 4.05 2.10 -1.50 0.80 117.51 123.78 1q48 h ILE 73 Ca -0.03 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.53 1q48 h ILE 73 Cb 0.25 -0.05 0.00 0.00 -1.09 0.00 0.00 36.82 35.94 1q48 h ILE 73 CO 0.05 0.20 0.00 0.71 -1.08 0.00 0.00 178.15 178.03 1q48 h THR 74 N 1.11 0.00 0.00 2.19 1.35 -1.11 -0.46 112.91 115.99 1q48 h THR 74 Ca 0.34 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1q48 h THR 74 Cb -0.02 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1q48 h THR 74 CO -0.11 0.00 -0.98 -0.62 -0.25 0.00 0.00 175.52 173.56 1q48 n GLU 75 N -2.98 0.39 0.00 4.72 -0.58 0.13 -3.97 120.64 118.35 1q48 n GLU 75 Ca -0.00 0.04 0.11 0.00 -0.42 0.00 0.00 57.16 56.88 1q48 n GLU 75 Cb 0.22 -1.67 -0.13 0.00 -0.57 0.00 0.00 31.44 29.29 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 -2.20 0.07 -1.67 -0.32 7.02 -0.38 -4.31 117.44 115.66 1q48 n TRP 76 Ca 0.01 0.02 -0.30 0.00 -1.02 0.00 0.00 57.50 56.21 1q48 n TRP 76 Cb 0.47 -0.39 0.05 0.00 -2.42 0.00 0.00 31.31 29.03 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 -2.06 3.13 -3.95 -0.99 0.24 -0.27 -4.68 118.33 109.75 1q48 n VAL 77 Ca -0.01 -3.56 -0.32 0.00 -2.04 0.00 0.00 64.34 58.41 1q48 n VAL 77 Cb 0.50 -1.16 -0.14 0.00 -1.47 0.00 0.00 33.84 31.57 1q48 n VAL 77 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1q48 s LYS 78 N -3.73 1.75 0.00 7.34 1.02 -1.26 -4.62 119.74 120.24 1q48 s LYS 78 Ca 0.58 -2.14 0.00 0.00 0.02 0.00 0.00 55.97 54.44 1q48 s LYS 78 Cb 0.46 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1q48 s LYS 78 CO -0.00 -1.02 0.00 0.41 -0.92 0.00 0.00 175.35 173.82 1q48 n GLY 79 N 3.90 2.38 0.00 -3.33 0.00 0.46 -5.02 105.19 103.57 1q48 n GLY 79 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.38 0.94 -4.35 1.61 5.02 -1.26 -4.03 118.16 115.69 1q48 n LYS 80 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1q48 n LYS 80 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1q48 n LYS 80 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1q48 s SER 81 N -2.01 2.01 0.24 4.39 0.15 -1.26 -1.94 113.70 115.27 1q48 s SER 81 Ca 0.00 -1.23 -0.05 0.00 0.70 0.00 0.00 55.95 55.37 1q48 s SER 81 Cb 0.00 -0.02 0.32 0.00 -1.71 0.00 0.00 66.02 64.60 1q48 s SER 81 CO 0.00 -0.50 1.87 -0.07 1.20 0.00 0.00 173.24 175.75 1q48 h LEU 82 N 2.41 0.92 -1.71 3.45 3.38 -1.93 0.05 115.31 121.88 1q48 h LEU 82 Ca -0.39 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.73 1q48 h LEU 82 Cb 1.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1q48 h LEU 82 CO 0.65 0.61 0.62 -0.08 0.09 0.00 0.00 178.44 180.34 1q48 h GLU 83 N 1.07 0.00 0.02 1.13 4.22 -1.94 0.19 114.58 119.27 1q48 h GLU 83 Ca 0.37 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.54 1q48 h GLU 83 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1q48 h GLU 83 CO -0.15 0.00 -1.47 0.39 -2.18 0.00 0.00 179.01 175.60 1q48 n GLU 84 N -3.46 0.60 0.24 1.92 -0.58 -0.04 -3.96 120.64 115.36 1q48 n GLU 84 Ca 0.09 0.51 0.17 0.00 -0.42 0.00 0.00 57.16 57.51 1q48 n GLU 84 Cb 0.81 -1.72 0.85 0.00 -0.57 0.00 0.00 31.44 30.80 1q48 n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q48 h ALA 85 N -0.44 1.00 -0.89 0.62 0.00 -0.72 -0.40 119.26 118.42 1q48 h ALA 85 Ca -0.39 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.06 1q48 h ALA 85 Cb 1.44 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.95 1q48 h ALA 85 CO -0.18 0.00 0.53 0.41 0.00 0.00 0.00 179.25 180.01 1q48 n GLY 86 N -0.97 4.55 0.00 0.00 0.00 0.53 -4.37 105.19 104.93 1q48 n GLY 86 Ca -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1q48 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n ALA 87 N -1.12 0.92 -0.89 4.61 0.00 -0.26 -5.00 120.51 118.76 1q48 n ALA 87 Ca 0.55 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.70 1q48 n ALA 87 Cb 1.57 0.00 0.04 0.00 0.00 0.00 0.00 19.45 21.07 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 -1.09 0.00 -4.22 0.00 -5.35 -0.60 -5.01 119.36 103.10 1q48 n ILE 88 Ca 0.00 -0.03 -0.13 0.00 -0.27 0.00 0.00 62.75 62.32 1q48 n ILE 88 Cb 0.00 -0.09 -0.10 0.00 -1.74 0.00 0.00 39.64 37.71 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 -2.22 1.18 -0.20 6.28 1.02 -1.26 -5.03 119.74 119.51 1q48 s LYS 89 Ca 0.31 -1.61 0.12 0.00 0.02 0.00 0.00 55.97 54.81 1q48 s LYS 89 Cb 0.06 0.10 -0.21 0.00 -0.52 0.00 0.00 37.83 37.26 1q48 s LYS 89 CO 0.51 -0.32 -0.01 0.27 -0.92 0.00 0.00 175.35 174.88 1q48 n ASN 90 N -0.27 0.88 -0.24 2.83 6.94 -1.26 -4.23 115.26 119.90 1q48 n ASN 90 Ca -0.01 -0.04 0.24 0.00 -0.02 0.00 0.00 54.58 54.75 1q48 n ASN 90 Cb 0.65 0.59 0.60 0.00 -2.36 0.00 0.00 39.78 39.26 1q48 n ASN 90 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1q48 h SER 91 N 0.00 0.25 0.31 0.53 4.64 -1.97 -0.82 113.55 116.49 1q48 h SER 91 Ca -0.52 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 1q48 h SER 91 Cb 2.06 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 1q48 h SER 91 CO -0.00 0.08 -0.15 1.56 -0.87 0.00 0.00 176.83 177.45 1q48 h GLN 92 N 0.24 -0.41 -0.93 4.77 4.20 -2.00 -1.58 115.11 119.41 1q48 h GLN 92 Ca 0.48 0.03 0.26 0.00 0.06 0.00 0.00 58.65 59.48 1q48 h GLN 92 Cb 1.48 0.09 -0.14 0.00 0.30 0.00 0.00 27.48 29.21 1q48 h GLN 92 CO -0.13 -0.27 0.39 0.82 -0.67 0.00 0.00 178.83 178.98 1q48 h ILE 93 N -1.11 0.36 -0.19 2.54 2.04 -1.58 0.28 117.51 119.84 1q48 h ILE 93 Ca -0.04 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1q48 h ILE 93 Cb 0.33 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1q48 h ILE 93 CO 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 178.15 178.25 1q48 h ALA 94 N 1.78 0.26 -0.91 1.87 0.00 -1.22 -2.14 119.26 118.90 1q48 h ALA 94 Ca 0.61 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.43 1q48 h ALA 94 Cb 1.28 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1q48 h ALA 94 CO -0.60 0.00 0.59 1.49 0.00 0.00 0.00 179.25 180.73 1q48 h GLU 95 N 0.08 0.76 -0.26 0.00 4.81 0.52 0.49 114.58 120.97 1q48 h GLU 95 Ca 0.05 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1q48 h GLU 95 Cb 0.44 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1q48 h GLU 95 CO 0.01 0.50 -0.07 1.49 -0.73 0.00 0.00 179.01 180.21 1q48 h GLU 96 N 0.78 0.52 0.00 1.92 4.57 -0.79 -2.49 114.58 119.09 1q48 h GLU 96 Ca 0.45 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1q48 h GLU 96 Cb 0.63 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1q48 h GLU 96 CO -0.22 0.74 0.00 -0.07 -1.18 0.00 0.00 179.01 178.28 1q48 h LEU 97 N 0.26 0.00 1.13 1.64 3.38 -0.53 -3.46 115.31 117.73 1q48 h LEU 97 Ca 0.07 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.71 1q48 h LEU 97 Cb 0.55 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1q48 h LEU 97 CO 0.03 0.00 -0.47 1.21 0.09 0.00 0.00 178.44 179.30 1q48 n GLU 98 N -2.31 -3.12 -2.50 1.13 2.13 0.16 -4.88 120.64 111.26 1q48 n GLU 98 Ca 0.03 0.50 -0.41 0.00 0.66 0.00 0.00 57.16 57.94 1q48 n GLU 98 Cb 0.31 -5.17 -0.04 0.00 0.27 0.00 0.00 31.44 26.80 1q48 n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1q48 s LEU 99 N -6.20 4.49 0.77 4.31 0.05 -1.24 -4.97 118.68 115.88 1q48 s LEU 99 Ca 0.28 2.11 -0.17 0.00 0.05 0.00 0.00 54.13 56.40 1q48 s LEU 99 Cb -0.15 -3.61 -0.12 0.00 -2.05 0.00 0.00 46.19 40.26 1q48 s LEU 99 CO 0.34 -0.23 -0.30 -2.65 -0.55 0.00 0.00 176.35 172.96 1q48 n PRO 100 N 2.32 0.03 0.03 1.48 -0.02 -1.26 -4.82 135.00 132.76 1q48 n PRO 100 Ca 0.03 0.02 0.09 0.00 -2.02 0.00 0.00 63.50 61.61 1q48 n PRO 100 Cb 0.46 -1.16 0.38 0.00 -0.02 0.00 0.00 33.50 33.16 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 1.46 0.05 -0.60 0.52 -0.04 -1.26 -3.54 135.00 131.59 1q48 n PRO 101 Ca 0.04 0.26 -0.05 0.00 -0.04 0.00 0.00 63.50 63.71 1q48 n PRO 101 Cb 0.52 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1q48 n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1q48 n VAL 102 N -1.68 2.20 -1.77 0.52 0.31 -1.26 -3.42 118.33 113.23 1q48 n VAL 102 Ca 0.04 -0.82 -0.01 0.00 -0.01 0.00 0.00 64.34 63.53 1q48 n VAL 102 Cb 0.21 -1.44 -0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1q48 n VAL 102 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1q48 n LYS 103 N 1.14 0.04 0.00 5.55 4.81 -1.23 -4.97 118.16 123.50 1q48 n LYS 103 Ca 0.09 -0.17 0.10 0.00 -0.87 0.00 0.00 58.31 57.47 1q48 n LYS 103 Cb 0.53 0.41 0.47 0.00 0.02 0.00 0.00 35.03 36.46 1q48 n LYS 103 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1q48 n VAL 104 N -0.05 0.49 0.28 3.15 0.31 -1.22 -2.96 118.33 118.33 1q48 n VAL 104 Ca -0.04 0.12 0.15 0.00 -0.01 0.00 0.00 64.34 64.56 1q48 n VAL 104 Cb 0.37 -0.76 0.85 0.00 -0.91 0.00 0.00 33.84 33.39 1q48 n VAL 104 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1q48 h HIS 105 N 0.00 0.00 0.31 3.52 3.86 -1.91 -2.58 115.15 118.35 1q48 h HIS 105 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1q48 h HIS 105 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1q48 h HIS 105 CO 0.00 0.06 -0.15 0.00 0.86 0.00 0.00 177.93 178.70 1q48 h SER 107 N -1.09 -1.28 -0.90 0.00 4.64 -1.73 0.70 113.55 113.89 1q48 h SER 107 Ca -0.04 0.19 0.19 0.00 -0.47 0.00 0.00 61.79 61.66 1q48 h SER 107 Cb 0.37 0.55 -0.07 0.00 -0.31 0.00 0.00 62.40 62.94 1q48 h SER 107 CO 0.07 -0.37 0.59 0.40 -0.87 0.00 0.00 176.83 176.65 1q48 h ILE 108 N -0.36 0.71 0.00 0.95 2.04 -1.57 0.89 117.51 120.17 1q48 h ILE 108 Ca 0.12 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1q48 h ILE 108 Cb 0.58 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1q48 h ILE 108 CO -0.50 0.09 -0.29 0.25 0.00 0.00 0.00 178.15 177.70 1q48 h LEU 109 N 0.47 0.00 0.10 1.44 5.85 0.11 0.14 115.31 123.43 1q48 h LEU 109 Ca 0.47 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.19 1q48 h LEU 109 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1q48 h LEU 109 CO -0.19 0.29 -0.05 0.00 -0.34 0.00 0.00 178.44 178.14 1q48 h ALA 110 N 1.71 -0.13 -0.07 1.25 0.00 0.30 0.14 119.26 122.45 1q48 h ALA 110 Ca -0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1q48 h ALA 110 Cb 0.53 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1q48 h ALA 110 CO 0.04 -0.44 -0.59 1.49 0.00 0.00 0.00 179.25 179.75 1q48 h GLU 111 N -0.41 0.22 -0.20 0.00 4.57 -1.29 -2.48 114.58 115.00 1q48 h GLU 111 Ca -0.01 -0.15 -0.10 0.00 -1.18 0.00 0.00 59.36 57.91 1q48 h GLU 111 Cb 0.34 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1q48 h GLU 111 CO 0.02 0.75 -0.33 0.22 -1.18 0.00 0.00 179.01 178.49 1q48 h ASP 112 N 0.17 0.41 0.34 1.04 1.82 -0.59 -2.28 116.42 117.33 1q48 h ASP 112 Ca -0.00 -0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.46 1q48 h ASP 112 Cb 1.08 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.98 1q48 h ASP 112 CO 0.09 0.72 -0.16 0.00 -1.61 0.00 0.00 179.24 178.28 1q48 h ALA 113 N 1.30 -0.52 -1.17 -0.78 0.00 -0.54 -0.76 119.26 116.80 1q48 h ALA 113 Ca 0.04 -0.10 0.34 0.00 0.00 0.00 0.00 54.91 55.19 1q48 h ALA 113 Cb 0.75 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 1q48 h ALA 113 CO 0.06 -0.49 0.76 0.97 0.00 0.00 0.00 179.25 180.55 1q48 h ILE 114 N -0.97 0.36 -0.01 0.00 6.09 -1.50 1.45 117.51 122.93 1q48 h ILE 114 Ca -0.05 -0.08 -0.17 0.00 -1.37 0.00 0.00 64.86 63.19 1q48 h ILE 114 Cb 0.35 0.10 -0.02 0.00 0.47 0.00 0.00 36.82 37.72 1q48 h ILE 114 CO 0.08 0.04 -0.77 0.50 -3.07 0.00 0.00 178.15 174.93 1q48 h LYS 115 N 0.24 0.10 -0.37 2.19 3.64 -1.37 -2.67 116.57 118.33 1q48 h LYS 115 Ca 0.68 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.89 1q48 h LYS 115 Cb 1.99 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.82 1q48 h LYS 115 CO -0.31 0.82 -0.05 0.00 -2.27 0.00 0.00 179.45 177.64 1q48 h ALA 116 N 1.15 0.51 0.27 5.00 0.00 0.35 -2.63 119.26 123.91 1q48 h ALA 116 Ca -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1q48 h ALA 116 Cb 1.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1q48 h ALA 116 CO 0.11 0.33 -0.13 0.00 0.00 0.00 0.00 179.25 179.56 1q48 h ALA 117 N 0.85 -0.37 -0.70 0.00 0.00 -1.16 -2.30 119.26 115.57 1q48 h ALA 117 Ca 0.10 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.00 1q48 h ALA 117 Cb 0.55 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 1q48 h ALA 117 CO 0.03 -0.61 -0.21 0.82 0.00 0.00 0.00 179.25 179.28 1q48 h ILE 118 N -0.56 0.26 -0.08 0.00 2.04 -1.46 0.29 117.51 118.00 1q48 h ILE 118 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1q48 h ILE 118 Cb 0.41 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1q48 h ILE 118 CO 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.08 1q48 h ALA 119 N 1.59 -0.08 0.00 1.87 0.00 -1.32 0.78 119.26 122.11 1q48 h ALA 119 Ca 0.33 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1q48 h ALA 119 Cb 0.53 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1q48 h ALA 119 CO -0.74 -0.60 -0.01 0.22 0.00 0.00 0.00 179.25 178.12 1q48 h ASP 120 N -0.18 0.00 0.21 0.00 3.58 -0.30 -0.94 116.42 118.79 1q48 h ASP 120 Ca 0.07 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1q48 h ASP 120 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1q48 h ASP 120 CO -0.19 0.01 -0.10 0.22 -2.88 0.00 0.00 179.24 176.31 1q48 h TYR 121 N 0.00 -0.26 -0.31 0.28 3.20 0.19 -3.12 116.97 116.95 1q48 h TYR 121 Ca -0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1q48 h TYR 121 Cb 0.11 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1q48 h TYR 121 CO 0.00 0.14 -0.11 0.87 -1.64 0.00 0.00 178.16 177.41 1q48 h LYS 122 N -0.86 0.52 -0.99 1.82 1.57 -1.08 -2.56 116.57 114.98 1q48 h LYS 122 Ca -0.03 -0.15 0.19 0.00 -1.87 0.00 0.00 60.65 58.80 1q48 h LYS 122 Cb 0.51 -0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.67 1q48 h LYS 122 CO 0.05 0.63 0.61 0.00 -0.57 0.00 0.00 179.45 180.17 1q48 h ALA 123 N 1.40 1.79 -0.52 3.86 0.00 -1.20 0.18 119.26 124.77 1q48 h ALA 123 Ca 0.09 0.06 -0.45 0.00 0.00 0.00 0.00 54.91 54.62 1q48 h ALA 123 Cb 0.49 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.04 1q48 h ALA 123 CO 0.03 -0.15 0.40 1.17 0.00 0.00 0.00 179.25 180.70 1q48 n LYS 124 N -4.71 2.23 0.00 0.00 4.81 -0.96 -3.24 118.16 116.29 1q48 n LYS 124 Ca 0.23 -2.12 0.00 0.00 -0.87 0.00 0.00 58.31 55.55 1q48 n LYS 124 Cb 0.60 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1q48 n LYS 124 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1q48 n GLN 125 N 0.69 1.55 0.00 1.64 7.27 0.05 -4.85 117.38 123.73 1q48 n GLN 125 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.51 1q48 n GLN 125 Cb 0.57 -0.97 0.00 0.00 2.41 0.00 0.00 30.24 32.25 1q48 n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1q48 n GLY 126 N 3.17 -1.54 4.10 1.69 0.00 -1.26 -5.03 105.19 106.33 1q48 n GLY 126 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1q48 n GLY 126 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q48 n LEU 127 N 0.00 -0.28 -4.97 0.99 7.94 -1.20 -4.91 117.00 114.57 1q48 n LEU 127 Ca 0.00 -1.21 -0.21 0.00 -1.11 0.00 0.00 56.01 53.48 1q48 n LEU 127 Cb 0.42 -1.46 0.03 0.00 0.53 0.00 0.00 43.42 42.94 1q48 n LEU 127 CO 0.00 0.69 0.32 -0.70 -1.11 0.00 0.00 177.39 176.59 1q48 s GLU 128 N -7.27 2.71 0.54 1.96 2.12 -1.26 -5.02 118.70 112.47 1q48 s GLU 128 Ca 0.35 -0.76 -0.18 0.00 0.36 0.00 0.00 54.97 54.74 1q48 s GLU 128 Cb -0.20 -2.54 -0.11 0.00 0.26 0.00 0.00 34.13 31.54 1q48 s GLU 128 CO 0.91 -0.55 0.27 1.58 -0.54 0.00 0.00 175.26 176.93 1q48 n HIS 129 N -2.22 -1.57 -4.02 5.30 -0.00 -1.26 -4.97 115.22 106.49 1q48 n HIS 129 Ca 0.06 0.45 -0.22 0.00 -0.00 0.00 0.00 57.72 58.01 1q48 n HIS 129 Cb 0.59 -1.85 -0.17 0.00 -0.00 0.00 0.00 29.99 28.56 1q48 n HIS 129 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1q48 s HIS 130 N -1.83 0.86 0.00 1.57 2.46 -1.25 -5.06 115.29 112.04 1q48 s HIS 130 Ca 0.64 -0.28 0.00 0.00 0.47 0.00 0.00 55.06 55.89 1q48 s HIS 130 Cb -0.47 -0.81 0.00 0.00 -0.13 0.00 0.00 32.58 31.17 1q48 s HIS 130 CO 0.59 -0.29 0.00 0.72 -2.47 0.00 0.00 174.74 173.29 1q48 n HIS 131 N 4.53 0.00 -1.73 3.88 8.25 -1.26 -1.20 115.22 127.68 1q48 n HIS 131 Ca -0.17 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.35 1q48 n HIS 131 Cb 0.50 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.76 1q48 n HIS 131 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q48 n HIS 132 N 11.90 0.00 -1.76 4.41 -0.00 -1.26 -5.05 115.22 123.47 1q48 n HIS 132 Ca 0.00 -1.09 0.00 0.00 0.46 0.00 0.00 57.72 57.09 1q48 n HIS 132 Cb 0.00 -0.20 0.00 0.00 -0.12 0.00 0.00 29.99 29.67 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 -0.74 0.00 0.76 1.57 8.25 -0.34 -5.27 115.22 119.44 1q48 n HIS 133 Ca 0.14 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.69 1q48 n HIS 133 Cb 0.78 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.97 1q48 n HIS 133 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56