#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 0.00 -3.62 3.04 0.00 -1.26 -5.11 120.51 113.56 1q48 n ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1q48 n ALA 2 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1q48 n ALA 2 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1q48 s TYR 3 N -1.48 2.62 0.63 0.00 1.13 -1.26 -5.10 117.35 113.89 1q48 s TYR 3 Ca 0.00 -1.30 -0.18 0.00 -1.41 0.00 0.00 57.07 54.19 1q48 s TYR 3 Cb 0.00 -1.78 -0.05 0.00 -1.10 0.00 0.00 41.96 39.03 1q48 s TYR 3 CO 0.00 -0.59 0.80 0.43 -2.51 0.00 0.00 175.55 173.68 1q48 n SER 4 N 4.02 0.02 0.20 -0.18 7.64 -1.26 -4.89 113.62 119.16 1q48 n SER 4 Ca -0.20 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1q48 n SER 4 Cb 0.52 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 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 -0.89 0.00 -2.10 1.43 2.13 -1.26 -5.09 120.64 114.86 1q48 n GLU 5 Ca 0.13 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.54 1q48 n GLU 5 Cb 0.48 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.17 1q48 n GLU 5 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1q48 s LYS 6 N -1.97 4.32 0.64 5.31 -0.14 -1.26 -4.98 119.74 121.67 1q48 s LYS 6 Ca 0.00 2.20 -0.15 0.00 -1.36 0.00 0.00 55.97 56.66 1q48 s LYS 6 Cb 0.00 -3.14 -0.01 0.00 -1.68 0.00 0.00 37.83 33.00 1q48 s LYS 6 CO 0.00 -0.34 1.09 0.54 -0.76 0.00 0.00 175.35 175.89 1q48 s VAL 7 N -0.04 3.42 -0.48 3.17 0.11 -1.26 -4.94 120.40 120.39 1q48 s VAL 7 Ca 0.58 0.66 -0.28 0.00 -2.93 0.00 0.00 61.98 60.00 1q48 s VAL 7 Cb -0.40 -3.19 0.02 0.00 -1.53 0.00 0.00 36.38 31.28 1q48 s VAL 7 CO 0.42 -0.41 1.35 -0.51 -3.33 0.00 0.00 175.10 172.62 1q48 s ILE 8 N -2.39 3.93 0.36 7.04 2.07 -1.26 -4.99 121.20 125.95 1q48 s ILE 8 Ca 0.66 0.90 0.02 0.00 -1.41 0.00 0.00 60.65 60.82 1q48 s ILE 8 Cb -0.19 -4.37 0.02 0.00 0.13 0.00 0.00 42.46 38.05 1q48 s ILE 8 CO 0.41 -0.96 0.20 -0.90 -1.91 0.00 0.00 174.94 171.77 1q48 n ASP 9 N 8.87 2.38 0.00 4.50 5.68 -1.26 -5.10 116.55 131.62 1q48 n ASP 9 Ca 0.14 -2.32 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1q48 n ASP 9 Cb 0.49 0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1q48 n ASP 9 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1q48 n HIS 10 N -1.21 0.00 -3.72 2.11 -0.00 -1.26 -5.16 115.22 105.98 1q48 n HIS 10 Ca -0.05 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.01 1q48 n HIS 10 Cb 0.42 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.18 1q48 n HIS 10 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1q48 s TYR 11 N 0.00 -0.50 0.03 1.57 1.51 -1.26 -5.16 117.35 113.54 1q48 s TYR 11 Ca 0.00 1.14 -0.12 0.00 -1.01 0.00 0.00 57.07 57.08 1q48 s TYR 11 Cb 0.00 0.19 0.01 0.00 -0.11 0.00 0.00 41.96 42.06 1q48 s TYR 11 CO 0.00 -0.27 0.25 -2.00 -1.11 0.00 0.00 175.55 172.42 1q48 s GLU 12 N 0.81 0.73 -0.02 -0.62 2.56 -1.26 -5.17 118.70 115.73 1q48 s GLU 12 Ca -0.05 -0.51 -0.29 0.00 0.00 0.00 0.00 54.97 54.12 1q48 s GLU 12 Cb -0.06 0.31 0.08 0.00 2.00 0.00 0.00 34.13 36.46 1q48 s GLU 12 CO -0.06 -0.22 0.70 0.54 -0.56 0.00 0.00 175.26 175.66 1q48 s ASN 13 N -1.95 -0.60 -1.11 -1.70 2.20 -1.26 -5.06 114.94 105.46 1q48 s ASN 13 Ca -0.07 0.52 -0.14 0.00 -0.94 0.00 0.00 52.86 52.23 1q48 s ASN 13 Cb -0.02 0.52 -0.07 0.00 -2.00 0.00 0.00 41.25 39.68 1q48 s ASN 13 CO -0.02 -0.66 2.20 -0.81 -2.94 0.00 0.00 177.10 174.88 1q48 n PRO 14 N 0.59 2.32 -0.07 3.55 -0.04 -1.26 -4.50 135.00 135.60 1q48 n PRO 14 Ca -0.17 -1.99 -0.21 0.00 -0.04 0.00 0.00 63.50 61.08 1q48 n PRO 14 Cb 0.59 -2.88 -0.13 0.00 -0.04 0.00 0.00 33.50 31.04 1q48 n PRO 14 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1q48 n ARG 15 N 5.57 0.68 -3.84 0.54 0.63 -1.26 -4.85 116.66 114.14 1q48 n ARG 15 Ca 0.53 0.28 -0.29 0.00 -0.92 0.00 0.00 57.85 57.45 1q48 n ARG 15 Cb 0.31 -1.64 -0.16 0.00 0.45 0.00 0.00 32.46 31.42 1q48 n ARG 15 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1q48 s ASN 16 N -6.92 3.45 0.00 6.15 -0.87 -1.26 -4.93 114.94 110.55 1q48 s ASN 16 Ca -0.29 -1.06 0.00 0.00 -1.57 0.00 0.00 52.86 49.95 1q48 s ASN 16 Cb 0.08 -0.90 0.00 0.00 -0.02 0.00 0.00 41.25 40.41 1q48 s ASN 16 CO 0.66 -0.28 0.00 0.55 -2.57 0.00 0.00 177.10 175.46 1q48 n VAL 17 N 4.85 0.00 0.00 1.60 3.14 -1.26 -5.11 118.33 121.55 1q48 n VAL 17 Ca -0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 1q48 n VAL 17 Cb 0.45 0.33 0.00 0.00 -1.06 0.00 0.00 33.84 33.57 1q48 n VAL 17 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1q48 n GLY 18 N 1.93 -0.92 0.00 7.55 0.00 -1.26 -5.13 105.19 107.36 1q48 n GLY 18 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1q48 n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q48 n SER 19 N 0.00 0.00 -4.44 1.61 2.88 -1.26 -5.11 113.62 107.30 1q48 n SER 19 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1q48 n SER 19 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1q48 n SER 19 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1q48 s LEU 20 N 0.00 2.51 0.37 2.46 2.96 -1.26 -5.08 118.68 120.64 1q48 s LEU 20 Ca 0.00 -0.75 -0.24 0.00 -0.22 0.00 0.00 54.13 52.92 1q48 s LEU 20 Cb 0.00 -1.31 -0.13 0.00 0.50 0.00 0.00 46.19 45.25 1q48 s LEU 20 CO 0.00 0.14 0.66 0.47 -1.32 0.00 0.00 176.35 176.31 1q48 n ASP 21 N 0.51 -0.37 0.00 3.68 8.00 -1.26 -4.76 116.55 122.35 1q48 n ASP 21 Ca -0.14 0.99 0.06 0.00 0.71 0.00 0.00 54.79 56.41 1q48 n ASP 21 Cb 0.54 -1.14 0.29 0.00 -0.02 0.00 0.00 41.12 40.79 1q48 n ASP 21 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1q48 n LYS 22 N 0.63 0.18 0.00 -1.24 5.02 -1.26 -3.04 118.16 118.46 1q48 n LYS 22 Ca 0.12 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1q48 n LYS 22 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1q48 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q48 n LYS 23 N -1.26 0.86 -4.28 1.97 5.02 -1.26 -4.78 118.16 114.43 1q48 n LYS 23 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 1q48 n LYS 23 Cb 0.09 -1.07 -0.10 0.00 -0.02 0.00 0.00 35.03 33.92 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 0.99 4.12 0.00 4.39 2.15 -1.17 -5.00 116.67 122.15 1q48 s ASP 24 Ca 0.00 -0.53 0.17 0.00 0.43 0.00 0.00 52.55 52.62 1q48 s ASP 24 Cb 0.00 -0.67 0.64 0.00 -0.30 0.00 0.00 42.92 42.59 1q48 s ASP 24 CO 0.00 0.15 1.46 -0.24 -0.17 0.00 0.00 175.17 176.37 1q48 n SER 25 N 0.52 1.39 0.00 -0.34 2.88 -1.26 -3.65 113.62 113.15 1q48 n SER 25 Ca -0.13 -1.76 0.00 0.00 -1.33 0.00 0.00 58.87 55.64 1q48 n SER 25 Cb 0.53 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.17 2.94 -4.64 -3.46 4.13 -1.26 -4.96 115.26 108.18 1q48 n ASN 26 Ca 0.14 -0.20 -0.35 0.00 1.68 0.00 0.00 54.58 55.85 1q48 n ASN 26 Cb 0.26 0.99 -0.10 0.00 -1.54 0.00 0.00 39.78 39.40 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 -1.58 4.88 0.09 2.41 1.01 -1.24 -1.22 120.40 124.75 1q48 s VAL 27 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.05 1q48 s VAL 27 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1q48 s VAL 27 CO 0.00 0.44 -0.19 -0.83 0.00 0.00 0.00 175.10 174.53 1q48 s GLY 28 N 0.50 1.10 0.08 4.51 0.00 -1.00 -4.61 107.32 107.90 1q48 s GLY 28 Ca 0.04 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.68 1q48 s GLY 28 CO 0.01 -1.16 -0.18 -1.59 0.00 0.00 0.00 173.10 170.18 1q48 s THR 29 N -1.18 1.42 -0.04 0.90 2.01 -1.26 -2.32 115.64 115.17 1q48 s THR 29 Ca 0.04 -1.37 -0.01 0.00 0.31 0.00 0.00 61.69 60.65 1q48 s THR 29 Cb -0.10 -1.31 0.03 0.00 0.01 0.00 0.00 72.50 71.14 1q48 s THR 29 CO 0.03 -0.10 0.07 -0.83 -0.69 0.00 0.00 174.62 173.11 1q48 s GLY 30 N -1.71 0.11 -0.47 4.40 0.00 -0.46 -4.07 107.32 105.14 1q48 s GLY 30 Ca 0.03 0.35 0.04 0.00 0.00 0.00 0.00 44.72 45.13 1q48 s GLY 30 CO 0.03 1.09 0.21 -0.29 0.00 0.00 0.00 173.10 174.14 1q48 s MET 31 N 1.61 1.86 0.31 2.90 1.75 -1.26 -1.00 119.30 125.47 1q48 s MET 31 Ca -0.03 -2.41 0.07 0.00 -1.25 0.00 0.00 55.69 52.07 1q48 s MET 31 Cb -0.12 -3.30 -0.02 0.00 2.84 0.00 0.00 34.83 34.22 1q48 s MET 31 CO -0.04 -1.06 0.33 0.14 -0.65 0.00 0.00 175.02 173.74 1q48 s VAL 32 N 0.05 4.08 0.24 10.11 -7.23 -0.65 -4.96 120.40 122.04 1q48 s VAL 32 Ca 0.15 -1.22 -0.08 0.00 -1.81 0.00 0.00 61.98 59.02 1q48 s VAL 32 Cb -0.24 -3.38 0.03 0.00 0.56 0.00 0.00 36.38 33.36 1q48 s VAL 32 CO -0.02 -0.22 0.46 0.61 -0.31 0.00 0.00 175.10 175.61 1q48 n GLY 33 N -1.42 1.54 2.55 2.32 0.00 -1.26 -0.38 105.19 108.54 1q48 n GLY 33 Ca -0.03 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.77 0.94 0.58 4.61 0.00 0.48 -4.96 121.76 121.64 1q48 s ALA 34 Ca 0.11 -1.51 0.28 0.00 0.00 0.00 0.00 51.96 50.83 1q48 s ALA 34 Cb -0.03 -1.52 1.60 0.00 0.00 0.00 0.00 23.12 23.17 1q48 s ALA 34 CO 0.08 -1.83 2.09 -1.35 0.00 0.00 0.00 175.76 174.75 1q48 h PRO 35 N 7.80 0.00 -0.90 0.00 0.11 -1.96 -2.24 132.00 134.81 1q48 h PRO 35 Ca -0.09 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.10 1q48 h PRO 35 Cb 0.99 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.99 1q48 h PRO 35 CO 0.39 0.00 -0.53 0.00 -0.21 0.00 0.00 178.00 177.65 1q48 n ALA 36 N -2.38 -0.57 -0.06 -0.75 0.00 -1.26 -3.83 120.51 111.66 1q48 n ALA 36 Ca 0.02 0.76 -0.12 0.00 0.00 0.00 0.00 53.44 54.10 1q48 n ALA 36 Cb 0.35 -0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.63 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 2.36 0.07 3.19 0.00 0.00 -0.86 -5.13 105.19 104.83 1q48 n GLY 38 Ca -0.23 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 3.96 -0.07 1.61 -1.08 -1.13 -4.90 116.67 115.07 1q48 s ASP 39 Ca 0.00 -0.75 -0.02 0.00 -0.52 0.00 0.00 52.55 51.26 1q48 s ASP 39 Cb 0.00 -1.61 -0.03 0.00 -1.46 0.00 0.00 42.92 39.81 1q48 s ASP 39 CO 0.00 -0.07 0.03 0.68 0.52 0.00 0.00 175.17 176.33 1q48 s VAL 40 N 1.33 4.48 -0.04 1.11 -7.23 -1.25 -0.39 120.40 118.41 1q48 s VAL 40 Ca 0.02 -0.27 0.01 0.00 -1.81 0.00 0.00 61.98 59.93 1q48 s VAL 40 Cb -0.15 -2.93 0.02 0.00 0.56 0.00 0.00 36.38 33.88 1q48 s VAL 40 CO -0.07 0.54 -0.02 -0.32 -0.31 0.00 0.00 175.10 174.92 1q48 s MET 41 N -1.12 0.59 -0.18 4.82 1.75 0.48 -3.45 119.30 122.19 1q48 s MET 41 Ca 0.16 -0.01 -0.02 0.00 -1.25 0.00 0.00 55.69 54.57 1q48 s MET 41 Cb -0.12 -0.70 -0.01 0.00 2.84 0.00 0.00 34.83 36.84 1q48 s MET 41 CO 0.05 -0.12 -0.08 -1.14 -0.65 0.00 0.00 175.02 173.08 1q48 s GLN 42 N 1.05 3.40 -0.04 4.11 0.74 -1.03 -1.64 119.66 126.25 1q48 s GLN 42 Ca -0.09 -0.64 0.05 0.00 0.05 0.00 0.00 55.36 54.73 1q48 s GLN 42 Cb -0.14 -2.84 -0.01 0.00 1.10 0.00 0.00 33.01 31.12 1q48 s GLN 42 CO -0.01 0.01 -0.20 -1.17 -0.55 0.00 0.00 175.29 173.37 1q48 s LEU 43 N 0.90 1.98 0.06 3.68 2.96 -0.17 -2.32 118.68 125.78 1q48 s LEU 43 Ca -0.02 -0.40 0.09 0.00 -0.22 0.00 0.00 54.13 53.58 1q48 s LEU 43 Cb -0.15 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 1q48 s LEU 43 CO 0.00 0.20 -0.24 -1.10 -1.32 0.00 0.00 176.35 173.89 1q48 s GLN 44 N -0.14 1.80 -0.10 1.98 -0.21 -1.01 -1.35 119.66 120.64 1q48 s GLN 44 Ca -0.01 -1.12 0.02 0.00 0.02 0.00 0.00 55.36 54.26 1q48 s GLN 44 Cb -0.11 -2.03 0.01 0.00 1.00 0.00 0.00 33.01 31.89 1q48 s GLN 44 CO 0.02 0.51 -0.14 0.96 -2.12 0.00 0.00 175.29 174.52 1q48 s ILE 45 N -0.90 1.38 -0.39 1.08 -5.25 -0.98 -2.90 121.20 113.24 1q48 s ILE 45 Ca 0.13 -0.58 -0.12 0.00 -0.99 0.00 0.00 60.65 59.09 1q48 s ILE 45 Cb -0.10 -1.27 0.03 0.00 2.95 0.00 0.00 42.46 44.07 1q48 s ILE 45 CO 0.04 0.42 0.25 -0.75 -1.79 0.00 0.00 174.94 173.10 1q48 s LYS 46 N 0.96 2.85 -0.42 0.37 2.47 -0.85 -2.37 119.74 122.76 1q48 s LYS 46 Ca -0.08 -1.12 -0.19 0.00 -1.56 0.00 0.00 55.97 53.03 1q48 s LYS 46 Cb -0.15 -3.83 0.02 0.00 -1.46 0.00 0.00 37.83 32.41 1q48 s LYS 46 CO -0.01 -0.76 0.52 0.08 0.16 0.00 0.00 175.35 175.34 1q48 s VAL 47 N 1.58 4.99 0.00 4.02 1.01 -0.35 0.19 120.40 131.84 1q48 s VAL 47 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1q48 s VAL 47 Cb -0.20 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1q48 s VAL 47 CO 0.07 -0.45 0.65 -0.67 0.00 0.00 0.00 175.10 174.70 1q48 n ASP 48 N 5.85 0.00 0.00 3.32 2.03 -0.35 -4.67 116.55 122.73 1q48 n ASP 48 Ca -0.05 0.65 0.00 0.00 0.52 0.00 0.00 54.79 55.91 1q48 n ASP 48 Cb 0.48 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1q48 n ASP 48 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1q48 n ASP 49 N -1.59 0.00 0.12 1.67 -0.08 -1.26 -4.91 116.55 110.51 1q48 n ASP 49 Ca 0.00 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.40 1q48 n ASP 49 Cb 0.00 0.00 0.21 0.00 2.34 0.00 0.00 41.12 43.67 1q48 n ASP 49 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1q48 h ASN 50 N 0.00 0.00 0.00 1.67 2.35 -2.03 -3.46 115.58 114.11 1q48 h ASN 50 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1q48 h ASN 50 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1q48 h ASN 50 CO 0.00 0.03 0.00 0.61 -1.65 0.00 0.00 177.43 176.42 1q48 n GLY 51 N 1.24 1.34 3.67 2.83 0.00 -1.26 -5.12 105.19 107.88 1q48 n GLY 51 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1q48 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q48 s ILE 52 N -1.78 4.63 -0.88 -0.61 -1.09 -1.26 -3.89 121.20 116.31 1q48 s ILE 52 Ca 0.00 -0.11 -0.25 0.00 -2.23 0.00 0.00 60.65 58.06 1q48 s ILE 52 Cb 0.00 -3.03 -0.12 0.00 -1.58 0.00 0.00 42.46 37.73 1q48 s ILE 52 CO 0.00 0.53 2.22 -0.63 -1.23 0.00 0.00 174.94 175.83 1q48 s ILE 53 N -0.21 3.16 0.18 2.92 1.01 -0.76 -1.22 121.20 126.29 1q48 s ILE 53 Ca 0.07 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 1q48 s ILE 53 Cb -0.12 -3.51 0.12 0.00 0.01 0.00 0.00 42.46 38.97 1q48 s ILE 53 CO 0.02 -0.33 1.62 -0.08 0.00 0.00 0.00 174.94 176.16 1q48 h GLU 54 N 11.99 -0.13 0.00 2.79 4.22 -0.56 -2.03 114.58 130.86 1q48 h GLU 54 Ca 0.04 0.01 -0.38 0.00 0.08 0.00 0.00 59.36 59.11 1q48 h GLU 54 Cb 1.00 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.18 1q48 h GLU 54 CO 1.07 -0.09 -0.33 -3.47 -2.18 0.00 0.00 179.01 174.02 1q48 n ASP 55 N -5.41 -0.91 -3.60 1.04 2.03 -1.12 -4.62 116.55 103.97 1q48 n ASP 55 Ca 0.03 -2.97 -0.12 0.00 0.52 0.00 0.00 54.79 52.25 1q48 n ASP 55 Cb 0.32 1.90 -0.06 0.00 -0.72 0.00 0.00 41.12 42.55 1q48 n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q48 s ALA 56 N -3.07 -1.88 0.14 -1.67 0.00 -1.26 -2.00 121.76 112.03 1q48 s ALA 56 Ca 0.34 1.73 0.02 0.00 0.00 0.00 0.00 51.96 54.04 1q48 s ALA 56 Cb 0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1q48 s ALA 56 CO 0.24 -0.30 -0.03 0.21 0.00 0.00 0.00 175.76 175.88 1q48 s LYS 57 N -0.35 0.99 0.19 0.00 2.20 -1.14 -5.02 119.74 116.61 1q48 s LYS 57 Ca -0.02 -1.45 -0.07 0.00 -0.36 0.00 0.00 55.97 54.07 1q48 s LYS 57 Cb -0.03 -0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.04 1q48 s LYS 57 CO 0.01 -0.09 0.27 -0.59 -0.36 0.00 0.00 175.35 174.59 1q48 s PHE 58 N -3.65 0.65 -0.30 4.03 -0.71 -1.26 -2.40 117.98 114.34 1q48 s PHE 58 Ca 0.19 -0.98 -0.09 0.00 -1.04 0.00 0.00 56.93 55.01 1q48 s PHE 58 Cb 0.06 -0.18 0.17 0.00 -1.21 0.00 0.00 43.02 41.86 1q48 s PHE 58 CO 0.00 -0.75 0.82 0.21 -1.34 0.00 0.00 175.22 174.16 1q48 s LYS 59 N -4.04 0.41 -0.04 1.99 2.20 -0.98 -5.01 119.74 114.26 1q48 s LYS 59 Ca 0.26 0.85 0.01 0.00 -0.36 0.00 0.00 55.97 56.73 1q48 s LYS 59 Cb 0.04 0.49 -0.03 0.00 -1.51 0.00 0.00 37.83 36.82 1q48 s LYS 59 CO 0.06 -0.31 -0.03 0.95 -0.36 0.00 0.00 175.35 175.66 1q48 s THR 60 N 2.79 3.97 -0.29 3.43 -4.23 -1.26 -2.47 115.64 117.57 1q48 s THR 60 Ca 0.05 -0.50 0.01 0.00 -1.18 0.00 0.00 61.69 60.07 1q48 s THR 60 Cb -0.11 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 71.19 1q48 s THR 60 CO -0.17 0.51 0.37 -0.47 -0.54 0.00 0.00 174.62 174.32 1q48 s TYR 61 N -0.93 -0.81 0.00 3.99 5.04 -1.22 -4.95 117.35 118.46 1q48 s TYR 61 Ca 0.15 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.90 1q48 s TYR 61 Cb -0.11 -0.26 0.00 0.00 0.35 0.00 0.00 41.96 41.93 1q48 s TYR 61 CO 0.05 -0.97 0.00 0.41 -1.34 0.00 0.00 175.55 173.70 1q48 n GLY 62 N 5.30 0.30 3.57 8.97 0.00 -1.26 -3.86 105.19 118.20 1q48 n GLY 62 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.92 4.37 0.04 0.00 0.00 -1.26 -4.59 105.19 102.82 1q48 n GLY 64 Ca -0.07 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.03 1q48 n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q48 n SER 65 N -1.25 0.49 -0.57 1.61 3.41 -1.26 -4.46 113.62 111.59 1q48 n SER 65 Ca 0.13 -0.74 0.12 0.00 -0.26 0.00 0.00 58.87 58.12 1q48 n SER 65 Cb 0.61 0.86 0.18 0.00 -0.26 0.00 0.00 64.21 65.61 1q48 n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q48 n ALA 66 N -0.94 3.02 0.19 7.33 0.00 -1.26 -4.35 120.51 124.50 1q48 n ALA 66 Ca 0.02 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.73 1q48 n ALA 66 Cb 0.11 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 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 2.78 0.71 -0.91 0.00 1.08 -1.86 -2.05 117.51 117.26 1q48 h ILE 67 Ca 0.00 -0.16 0.15 0.00 -0.39 0.00 0.00 64.86 64.46 1q48 h ILE 67 Cb 0.73 0.79 -0.15 0.00 -3.07 0.00 0.00 36.82 35.12 1q48 h ILE 67 CO 0.00 0.03 -0.36 0.00 -0.69 0.00 0.00 178.15 177.14 1q48 h ALA 68 N 0.15 0.18 0.30 1.87 0.00 -1.89 0.16 119.26 120.04 1q48 h ALA 68 Ca -0.04 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1q48 h ALA 68 Cb 0.38 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1q48 h ALA 68 CO 0.07 -0.60 -0.23 0.66 0.00 0.00 0.00 179.25 179.15 1q48 h SER 69 N -0.03 -0.59 -1.12 0.00 4.64 -1.78 -1.36 113.55 113.30 1q48 h SER 69 Ca 0.34 0.05 0.36 0.00 -0.47 0.00 0.00 61.79 62.07 1q48 h SER 69 Cb 0.60 0.19 -0.14 0.00 -0.31 0.00 0.00 62.40 62.74 1q48 h SER 69 CO -0.92 -0.35 0.68 0.28 -0.87 0.00 0.00 176.83 175.65 1q48 h SER 70 N -0.53 0.39 -0.16 4.97 0.02 -0.01 0.57 113.55 118.81 1q48 h SER 70 Ca -0.02 0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1q48 h SER 70 Cb 0.46 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1q48 h SER 70 CO -0.01 -0.15 -0.26 0.28 -1.14 0.00 0.00 176.83 175.55 1q48 h SER 71 N 0.22 0.50 0.12 3.07 0.02 -0.15 -1.65 113.55 115.68 1q48 h SER 71 Ca 0.76 -0.54 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1q48 h SER 71 Cb 2.03 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 64.39 1q48 h SER 71 CO -0.51 0.94 -0.32 0.25 -1.14 0.00 0.00 176.83 176.05 1q48 h LEU 72 N 0.08 -0.93 0.74 5.07 5.85 0.10 -2.31 115.31 123.91 1q48 h LEU 72 Ca 0.01 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1q48 h LEU 72 Cb 0.84 0.35 0.01 0.00 0.37 0.00 0.00 40.66 42.23 1q48 h LEU 72 CO 0.06 -0.41 -0.36 -0.29 -0.34 0.00 0.00 178.44 177.10 1q48 h ILE 73 N -0.55 0.00 -1.35 4.05 2.10 -1.35 -1.80 117.51 118.61 1q48 h ILE 73 Ca 0.03 -0.10 0.42 0.00 1.08 0.00 0.00 64.86 66.29 1q48 h ILE 73 Cb 0.58 0.00 -0.08 0.00 -1.09 0.00 0.00 36.82 36.23 1q48 h ILE 73 CO -0.19 0.00 0.94 0.35 -1.08 0.00 0.00 178.15 178.17 1q48 n THR 74 N -4.95 -0.08 0.02 2.19 -2.24 -0.62 0.36 114.28 108.97 1q48 n THR 74 Ca -0.12 1.25 -0.09 0.00 -2.27 0.00 0.00 64.05 62.81 1q48 n THR 74 Cb 0.39 -2.06 -0.13 0.00 -2.10 0.00 0.00 70.33 66.43 1q48 n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1q48 h GLU 75 N 0.00 0.03 -0.01 -0.78 3.07 -0.94 -3.27 114.58 112.69 1q48 h GLU 75 Ca 0.71 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 1q48 h GLU 75 Cb 2.64 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 30.57 1q48 h GLU 75 CO -0.15 0.77 0.00 0.91 -1.40 0.00 0.00 179.01 179.15 1q48 n TRP 76 N -3.22 0.01 -3.20 4.33 7.02 1.14 -4.08 117.44 119.45 1q48 n TRP 76 Ca -0.11 -0.01 -0.26 0.00 -1.02 0.00 0.00 57.50 56.11 1q48 n TRP 76 Cb 1.01 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.84 1q48 n TRP 76 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1q48 n VAL 77 N -0.65 2.15 -3.37 -0.99 0.24 -0.26 -4.81 118.33 110.66 1q48 n VAL 77 Ca 0.21 -5.20 -0.16 0.00 -2.04 0.00 0.00 64.34 57.15 1q48 n VAL 77 Cb 0.17 -1.67 -0.08 0.00 -1.47 0.00 0.00 33.84 30.79 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 -2.74 0.52 0.00 7.34 1.02 -1.26 -4.54 119.74 120.09 1q48 s LYS 78 Ca 0.43 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1q48 s LYS 78 Cb 0.22 -0.65 0.00 0.00 -0.52 0.00 0.00 37.83 36.87 1q48 s LYS 78 CO -0.07 -1.13 0.00 0.41 -0.92 0.00 0.00 175.35 173.64 1q48 n GLY 79 N 4.69 1.97 0.00 -3.33 0.00 -0.76 -5.01 105.19 102.75 1q48 n GLY 79 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.46 -4.92 1.61 5.02 -1.26 -4.44 118.16 111.70 1q48 n LYS 80 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1q48 n LYS 80 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 1q48 n LYS 80 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1q48 s SER 81 N -1.39 3.79 0.09 4.39 0.01 -1.26 -1.83 113.70 117.50 1q48 s SER 81 Ca 0.00 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 56.99 1q48 s SER 81 Cb 0.00 -0.70 0.14 0.00 0.21 0.00 0.00 66.02 65.67 1q48 s SER 81 CO 0.00 0.32 0.83 0.18 0.41 0.00 0.00 173.24 174.99 1q48 n LEU 82 N 2.17 0.07 0.11 2.44 4.77 -1.25 -0.89 117.00 124.42 1q48 n LEU 82 Ca -0.17 0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 1q48 n LEU 82 Cb 0.52 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1q48 n LEU 82 CO 0.25 -0.31 0.40 -0.08 -1.33 0.00 0.00 177.39 176.32 1q48 h GLU 83 N 0.00 -0.33 -0.04 3.23 4.81 -1.91 0.14 114.58 120.47 1q48 h GLU 83 Ca 0.00 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1q48 h GLU 83 Cb 0.63 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1q48 h GLU 83 CO 0.00 0.03 -0.30 0.93 -0.73 0.00 0.00 179.01 178.94 1q48 h GLU 84 N -0.90 0.07 0.00 1.92 5.08 -1.42 -1.99 114.58 117.35 1q48 h GLU 84 Ca -0.03 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1q48 h GLU 84 Cb 0.51 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1q48 h GLU 84 CO 0.06 0.37 -0.34 0.00 -1.00 0.00 0.00 179.01 178.09 1q48 h ALA 85 N 1.64 0.84 -1.03 3.43 0.00 -1.48 -2.81 119.26 119.85 1q48 h ALA 85 Ca 0.01 -0.31 -0.76 0.00 0.00 0.00 0.00 54.91 53.84 1q48 h ALA 85 Cb 0.56 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.02 1q48 h ALA 85 CO 0.04 0.43 1.00 0.41 0.00 0.00 0.00 179.25 181.13 1q48 n GLY 86 N 0.81 5.55 0.00 0.00 0.00 0.47 -4.29 105.19 107.74 1q48 n GLY 86 Ca 0.02 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.53 0.00 -0.05 4.61 0.00 -1.23 -4.92 120.51 118.40 1q48 n ALA 87 Ca 0.53 0.00 0.16 0.00 0.00 0.00 0.00 53.44 54.14 1q48 n ALA 87 Cb 0.25 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.36 0.00 -1.38 0.00 -5.35 -1.06 -4.82 119.36 106.40 1q48 n ILE 88 Ca 0.00 0.97 0.18 0.00 -0.27 0.00 0.00 62.75 63.64 1q48 n ILE 88 Cb 0.00 -1.80 -0.06 0.00 -1.74 0.00 0.00 39.64 36.04 1q48 n ILE 88 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1q48 n LYS 89 N -2.68 -2.91 -0.08 6.28 5.02 -1.26 -4.19 118.16 118.34 1q48 n LYS 89 Ca 0.14 2.08 -0.21 0.00 -2.02 0.00 0.00 58.31 58.29 1q48 n LYS 89 Cb 1.14 -3.50 -0.12 0.00 -0.02 0.00 0.00 35.03 32.53 1q48 n LYS 89 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1q48 n ASN 90 N -4.18 2.01 -0.10 4.39 6.94 -1.26 -4.32 115.26 118.74 1q48 n ASN 90 Ca -0.02 0.11 -0.06 0.00 -0.02 0.00 0.00 54.58 54.59 1q48 n ASN 90 Cb 0.64 -0.68 0.01 0.00 -2.36 0.00 0.00 39.78 37.38 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 -0.23 -0.34 -0.25 0.53 4.64 -1.90 0.13 113.55 116.13 1q48 h SER 91 Ca -0.52 0.11 0.03 0.00 -0.47 0.00 0.00 61.79 60.93 1q48 h SER 91 Cb 1.84 0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 64.11 1q48 h SER 91 CO -0.09 -0.12 -0.24 -0.61 -0.87 0.00 0.00 176.83 174.89 1q48 h GLN 92 N -0.00 -0.11 -0.23 4.77 4.15 -1.77 0.28 115.11 122.19 1q48 h GLN 92 Ca 0.17 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1q48 h GLN 92 Cb 0.27 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1q48 h GLN 92 CO -0.37 -0.08 0.15 0.82 -1.93 0.00 0.00 178.83 177.43 1q48 h ILE 93 N -0.12 1.03 -0.37 2.39 2.04 -1.68 -1.11 117.51 119.69 1q48 h ILE 93 Ca 0.04 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1q48 h ILE 93 Cb 0.23 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1q48 h ILE 93 CO -0.30 0.05 0.25 0.00 0.00 0.00 0.00 178.15 178.15 1q48 h ALA 94 N 1.86 1.93 0.08 1.87 0.00 0.23 -1.92 119.26 123.31 1q48 h ALA 94 Ca 0.09 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.70 1q48 h ALA 94 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1q48 h ALA 94 CO -0.02 0.02 -1.43 0.93 0.00 0.00 0.00 179.25 178.75 1q48 h GLU 95 N 0.33 0.17 -0.78 0.00 5.08 0.16 -2.60 114.58 116.95 1q48 h GLU 95 Ca 0.16 -0.30 0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1q48 h GLU 95 Cb 0.20 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 1q48 h GLU 95 CO -0.03 1.03 0.45 0.93 -1.00 0.00 0.00 179.01 180.38 1q48 h GLU 96 N 0.05 0.76 0.00 2.33 5.08 -0.95 -1.75 114.58 120.10 1q48 h GLU 96 Ca -0.20 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 57.92 1q48 h GLU 96 Cb 1.97 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 31.01 1q48 h GLU 96 CO 0.15 0.50 -1.06 -0.07 -1.00 0.00 0.00 179.01 177.53 1q48 h LEU 97 N 0.78 0.00 -2.52 1.33 3.38 -1.59 -3.49 115.31 113.20 1q48 h LEU 97 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1q48 h LEU 97 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1q48 h LEU 97 CO -0.22 0.84 -0.15 -0.62 0.09 0.00 0.00 178.44 178.39 1q48 n GLU 98 N -3.21 -1.26 -4.38 1.13 1.02 -0.66 -5.05 120.64 108.23 1q48 n GLU 98 Ca -0.04 1.40 -0.25 0.00 -0.02 0.00 0.00 57.16 58.26 1q48 n GLU 98 Cb 0.90 -4.54 -0.13 0.00 -0.02 0.00 0.00 31.44 27.65 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 -2.91 2.27 0.58 -4.62 2.34 -1.24 -5.08 118.68 110.01 1q48 s LEU 99 Ca 0.07 -0.65 -0.20 0.00 0.06 0.00 0.00 54.13 53.41 1q48 s LEU 99 Cb -0.02 -0.94 -0.04 0.00 -0.56 0.00 0.00 46.19 44.64 1q48 s LEU 99 CO 0.54 0.09 1.26 -2.16 -1.06 0.00 0.00 176.35 175.03 1q48 s PRO 100 N -1.75 3.03 0.00 1.48 0.04 -1.26 -4.87 135.00 131.66 1q48 s PRO 100 Ca 0.07 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1q48 s PRO 100 Cb -0.10 -2.05 0.24 0.00 0.04 0.00 0.00 34.50 32.63 1q48 s PRO 100 CO 0.04 -1.20 0.62 -0.35 0.04 0.00 0.00 177.00 176.14 1q48 n PRO 101 N -1.38 0.33 -0.06 0.56 -0.04 -1.26 -3.27 135.00 129.88 1q48 n PRO 101 Ca 0.12 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1q48 n PRO 101 Cb 0.48 -1.20 0.22 0.00 -0.04 0.00 0.00 33.50 32.96 1q48 n PRO 101 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1q48 h VAL 102 N 0.00 1.23 -0.65 0.52 3.04 -2.06 -3.27 116.25 115.05 1q48 h VAL 102 Ca 0.00 -0.91 -0.33 0.00 -1.01 0.00 0.00 66.70 64.44 1q48 h VAL 102 Cb 0.00 0.91 -0.41 0.00 -2.01 0.00 0.00 31.29 29.78 1q48 h VAL 102 CO 0.00 0.32 -1.06 2.29 -1.01 0.00 0.00 177.57 178.11 1q48 n LYS 103 N -4.24 2.03 0.30 4.17 2.85 -1.20 -4.85 118.16 117.21 1q48 n LYS 103 Ca 0.02 -3.63 0.19 0.00 -1.05 0.00 0.00 58.31 53.84 1q48 n LYS 103 Cb 0.28 -1.69 0.99 0.00 -0.65 0.00 0.00 35.03 33.96 1q48 n LYS 103 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 1q48 h VAL 104 N 4.37 0.00 -0.65 0.58 3.04 -1.70 -2.14 116.25 119.75 1q48 h VAL 104 Ca -0.02 0.00 0.19 0.00 -1.01 0.00 0.00 66.70 65.86 1q48 h VAL 104 Cb 1.28 0.81 -0.03 0.00 -2.01 0.00 0.00 31.29 31.34 1q48 h VAL 104 CO 0.38 0.00 0.88 1.12 -1.01 0.00 0.00 177.57 178.93 1q48 h HIS 105 N 0.00 0.00 -0.19 3.17 2.07 -1.89 0.56 115.15 118.88 1q48 h HIS 105 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 1q48 h HIS 105 Cb 0.15 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.12 1q48 h HIS 105 CO 0.00 0.00 0.04 0.00 -3.07 0.00 0.00 177.93 174.90 1q48 h SER 107 N 0.11 -0.01 -0.61 0.00 4.64 -0.12 -2.49 113.55 115.07 1q48 h SER 107 Ca 0.06 -0.26 0.11 0.00 -0.47 0.00 0.00 61.79 61.22 1q48 h SER 107 Cb 0.29 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1q48 h SER 107 CO 0.00 0.26 0.41 0.40 -0.87 0.00 0.00 176.83 177.03 1q48 h ILE 108 N -0.27 0.87 0.68 0.95 1.08 -1.44 -2.59 117.51 116.79 1q48 h ILE 108 Ca -0.00 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1q48 h ILE 108 Cb 0.27 0.46 0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1q48 h ILE 108 CO 0.00 0.07 -0.33 -0.07 -0.69 0.00 0.00 178.15 177.13 1q48 h LEU 109 N 0.38 -0.78 -0.97 1.44 4.07 -0.66 0.11 115.31 118.90 1q48 h LEU 109 Ca 0.29 0.03 0.16 0.00 0.08 0.00 0.00 57.88 58.43 1q48 h LEU 109 Cb 0.61 0.20 -0.16 0.00 1.08 0.00 0.00 40.66 42.39 1q48 h LEU 109 CO -0.08 -0.48 -0.37 0.00 -1.08 0.00 0.00 178.44 176.44 1q48 h ALA 110 N -1.41 0.20 0.79 1.53 0.00 -1.08 0.25 119.26 119.54 1q48 h ALA 110 Ca -0.09 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1q48 h ALA 110 Cb 0.70 0.97 0.01 0.00 0.00 0.00 0.00 17.79 19.48 1q48 h ALA 110 CO 0.15 -0.60 -0.38 1.49 0.00 0.00 0.00 179.25 179.91 1q48 h GLU 111 N -0.01 -1.03 -1.28 0.00 4.57 -1.43 -2.21 114.58 113.19 1q48 h GLU 111 Ca 0.35 0.07 0.38 0.00 -1.18 0.00 0.00 59.36 58.98 1q48 h GLU 111 Cb 0.61 0.23 -0.09 0.00 -0.16 0.00 0.00 28.75 29.34 1q48 h GLU 111 CO -0.98 -0.67 0.86 -0.44 -1.18 0.00 0.00 179.01 176.60 1q48 h ASP 112 N -1.12 0.22 0.05 1.04 5.19 0.11 -1.86 116.42 120.05 1q48 h ASP 112 Ca -0.11 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1q48 h ASP 112 Cb 0.83 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1q48 h ASP 112 CO 0.18 -0.04 -0.02 0.00 -3.12 0.00 0.00 179.24 176.24 1q48 h ALA 113 N 1.50 -0.77 -1.33 3.45 0.00 0.01 -2.32 119.26 119.80 1q48 h ALA 113 Ca 0.71 -0.01 0.44 0.00 0.00 0.00 0.00 54.91 56.05 1q48 h ALA 113 Cb 2.32 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 20.02 1q48 h ALA 113 CO -0.24 -0.77 0.87 1.51 0.00 0.00 0.00 179.25 180.62 1q48 n ILE 114 N -2.21 -0.19 0.06 0.00 0.13 -0.74 -0.72 119.36 115.68 1q48 n ILE 114 Ca -0.01 1.57 -0.02 0.00 -1.10 0.00 0.00 62.75 63.19 1q48 n ILE 114 Cb 0.03 -2.58 -0.01 0.00 -0.84 0.00 0.00 39.64 36.23 1q48 n ILE 114 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1q48 h LYS 115 N 0.00 -0.14 -0.90 9.51 3.64 -1.23 -1.74 116.57 125.71 1q48 h LYS 115 Ca 0.80 0.01 0.24 0.00 -1.27 0.00 0.00 60.65 60.43 1q48 h LYS 115 Cb 2.69 0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 34.38 1q48 h LYS 115 CO -0.35 -0.10 0.08 0.00 -2.27 0.00 0.00 179.45 176.81 1q48 h ALA 116 N -1.89 1.11 -0.95 5.00 0.00 -0.36 1.06 119.26 123.23 1q48 h ALA 116 Ca -0.02 0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.28 1q48 h ALA 116 Cb 0.11 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 1q48 h ALA 116 CO 0.02 -0.51 0.59 0.00 0.00 0.00 0.00 179.25 179.36 1q48 h ALA 117 N 1.86 1.39 -0.21 0.00 0.00 -1.19 -1.63 119.26 119.47 1q48 h ALA 117 Ca 0.54 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 1q48 h ALA 117 Cb 1.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1q48 h ALA 117 CO -0.78 0.24 0.03 0.82 0.00 0.00 0.00 179.25 179.56 1q48 h ILE 118 N 0.98 1.23 0.05 0.00 2.04 0.21 -2.54 117.51 119.48 1q48 h ILE 118 Ca 0.45 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.59 1q48 h ILE 118 Cb 0.38 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 1q48 h ILE 118 CO -0.24 0.23 -0.45 0.00 0.00 0.00 0.00 178.15 177.69 1q48 h ALA 119 N 0.84 -0.77 -0.11 1.87 0.00 -0.35 -0.84 119.26 119.90 1q48 h ALA 119 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1q48 h ALA 119 Cb 0.32 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1q48 h ALA 119 CO 0.00 -1.01 -0.53 -0.44 0.00 0.00 0.00 179.25 177.27 1q48 h ASP 120 N -0.64 -1.67 -0.14 0.00 5.19 -1.36 0.67 116.42 118.48 1q48 h ASP 120 Ca 0.03 0.20 0.04 0.00 -0.62 0.00 0.00 57.03 56.68 1q48 h ASP 120 Cb 0.69 0.65 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 1q48 h ASP 120 CO -0.30 -0.49 0.48 0.22 -3.12 0.00 0.00 179.24 176.03 1q48 h TYR 121 N -0.59 0.00 -0.00 4.55 3.20 -1.05 1.20 116.97 124.28 1q48 h TYR 121 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1q48 h TYR 121 Cb 0.69 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1q48 h TYR 121 CO -0.56 0.00 -0.73 1.17 -1.64 0.00 0.00 178.16 176.40 1q48 n LYS 122 N -3.05 0.30 0.00 1.82 4.81 0.20 -4.07 118.16 118.17 1q48 n LYS 122 Ca 0.02 -0.23 0.07 0.00 -0.87 0.00 0.00 58.31 57.30 1q48 n LYS 122 Cb 0.56 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.06 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 -1.15 3.68 0.47 3.14 0.00 0.40 -4.30 120.51 122.76 1q48 n ALA 123 Ca 0.06 -0.45 0.13 0.00 0.00 0.00 0.00 53.44 53.18 1q48 n ALA 123 Cb 0.36 -0.54 0.43 0.00 0.00 0.00 0.00 19.45 19.71 1q48 n ALA 123 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1q48 h LYS 124 N 0.52 0.00 0.00 0.00 6.56 -1.19 -3.36 116.57 119.10 1q48 h LYS 124 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1q48 h LYS 124 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1q48 h LYS 124 CO 0.00 0.00 0.00 0.94 -2.06 0.00 0.00 179.45 178.33 1q48 n GLN 125 N -2.42 0.00 0.00 3.15 7.27 -1.26 -4.72 117.38 119.40 1q48 n GLN 125 Ca 0.04 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.64 1q48 n GLN 125 Cb 0.36 -1.24 0.00 0.00 2.41 0.00 0.00 30.24 31.77 1q48 n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1q48 n GLY 126 N -0.89 0.00 0.11 1.69 0.00 -1.26 -5.01 105.19 99.83 1q48 n GLY 126 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1q48 n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q48 n LEU 127 N 0.00 0.81 -0.27 0.99 7.99 -1.26 -4.71 117.00 120.54 1q48 n LEU 127 Ca 0.00 -0.68 -0.12 0.00 -0.01 0.00 0.00 56.01 55.20 1q48 n LEU 127 Cb 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 1q48 n LEU 127 CO 0.00 0.17 0.49 -0.33 -1.51 0.00 0.00 177.39 176.21 1q48 h GLU 128 N 0.56 -0.18 -7.07 3.23 4.39 -1.96 -3.39 114.58 110.17 1q48 h GLU 128 Ca 0.00 0.01 -0.46 0.00 0.34 0.00 0.00 59.36 59.25 1q48 h GLU 128 Cb 0.22 0.04 0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1q48 h GLU 128 CO 0.00 -0.12 0.37 -1.01 -1.16 0.00 0.00 179.01 177.10 1q48 s HIS 129 N -5.43 3.07 0.00 4.33 3.76 -1.26 -5.06 115.29 114.70 1q48 s HIS 129 Ca -0.12 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.37 1q48 s HIS 129 Cb 0.09 -3.02 0.00 0.00 1.11 0.00 0.00 32.58 30.77 1q48 s HIS 129 CO 0.58 -0.67 0.00 -2.39 -0.85 0.00 0.00 174.74 171.42 1q48 n HIS 130 N -0.90 -0.06 -2.02 1.40 1.44 -1.26 -5.09 115.22 108.74 1q48 n HIS 130 Ca 0.09 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.77 1q48 n HIS 130 Cb 0.53 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.63 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 -0.02 -0.34 -2.13 -1.40 1.44 -1.26 -4.99 115.22 106.52 1q48 n HIS 131 Ca 0.00 -0.46 -0.29 0.00 -2.01 0.00 0.00 57.72 54.96 1q48 n HIS 131 Cb 0.00 0.60 0.02 0.00 0.12 0.00 0.00 29.99 30.73 1q48 n HIS 131 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1q48 n HIS 132 N -0.26 3.13 0.00 -1.40 1.44 -1.26 -5.03 115.22 111.84 1q48 n HIS 132 Ca -0.13 -2.71 0.00 0.00 -2.01 0.00 0.00 57.72 52.87 1q48 n HIS 132 Cb 0.55 -0.49 0.00 0.00 0.12 0.00 0.00 29.99 30.18 1q48 n HIS 132 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1q48 n HIS 133 N -0.61 -0.67 0.48 -1.40 -0.00 -1.26 -5.36 115.22 106.40 1q48 n HIS 133 Ca 0.46 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.69 1q48 n HIS 133 Cb 0.68 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 30.60 1q48 n HIS 133 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52