#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q48 s ALA 2 N 0.00 2.55 -1.31 3.04 0.00 -1.26 -3.15 121.76 121.64 1q48 s ALA 2 Ca 0.00 0.52 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 1q48 s ALA 2 Cb 0.00 -4.12 0.03 0.00 0.00 0.00 0.00 23.12 19.04 1q48 s ALA 2 CO 0.00 -3.08 0.49 0.66 0.00 0.00 0.00 175.76 173.83 1q48 n TYR 3 N 12.18 -1.37 -3.22 0.00 4.02 -1.26 -4.92 117.16 122.60 1q48 n TYR 3 Ca 0.29 0.23 0.02 0.00 -0.01 0.00 0.00 57.90 58.44 1q48 n TYR 3 Cb 0.47 -2.82 -0.02 0.00 -0.02 0.00 0.00 39.34 36.95 1q48 n TYR 3 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1q48 s SER 4 N -3.78 -1.17 -0.84 7.72 0.01 -1.19 -5.09 113.70 109.36 1q48 s SER 4 Ca 0.35 0.86 -0.02 0.00 1.31 0.00 0.00 55.95 58.45 1q48 s SER 4 Cb -0.19 2.05 0.21 0.00 0.21 0.00 0.00 66.02 68.30 1q48 s SER 4 CO 0.98 -0.26 0.71 -0.70 0.41 0.00 0.00 173.24 174.38 1q48 s GLU 5 N 2.82 3.13 0.00 12.44 2.56 -1.26 -4.09 118.70 134.30 1q48 s GLU 5 Ca 0.18 -3.14 0.00 0.00 0.00 0.00 0.00 54.97 52.01 1q48 s GLU 5 Cb -0.15 -3.90 0.00 0.00 2.00 0.00 0.00 34.13 32.08 1q48 s GLU 5 CO -0.20 -1.25 0.00 1.63 -0.56 0.00 0.00 175.26 174.88 1q48 n LYS 6 N 2.54 0.00 -0.21 4.30 4.76 -1.26 -5.09 118.16 123.20 1q48 n LYS 6 Ca 0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 1q48 n LYS 6 Cb 0.37 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 1q48 n LYS 6 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1q48 n VAL 7 N 0.00 0.00 0.00 -0.18 0.31 -1.26 -5.14 118.33 112.06 1q48 n VAL 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1q48 n VAL 7 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1q48 n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1q48 n ILE 8 N 0.00 0.00 -1.39 2.52 5.41 -1.26 -5.16 119.36 119.48 1q48 n ILE 8 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.92 1q48 n ILE 8 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 1q48 n ILE 8 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1q48 n ASP 9 N -0.36 -7.61 0.00 4.38 8.00 -1.26 -4.96 116.55 114.74 1q48 n ASP 9 Ca 0.00 1.39 0.00 0.00 0.71 0.00 0.00 54.79 56.89 1q48 n ASP 9 Cb 0.00 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.32 1q48 n ASP 9 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1q48 n HIS 10 N -4.26 0.00 0.71 1.24 8.25 -1.26 -4.77 115.22 115.13 1q48 n HIS 10 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1q48 n HIS 10 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 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 -0.90 0.00 -1.57 4.41 4.01 -1.26 -4.88 117.16 116.97 1q48 n TYR 11 Ca 0.00 -0.22 -0.50 0.00 -0.16 0.00 0.00 57.90 57.01 1q48 n TYR 11 Cb 0.07 -0.16 -0.05 0.00 -0.31 0.00 0.00 39.34 38.90 1q48 n TYR 11 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1q48 n GLU 12 N 0.46 1.06 -0.85 -0.72 4.71 -1.26 -4.79 120.64 119.24 1q48 n GLU 12 Ca 0.00 0.38 -0.29 0.00 -0.01 0.00 0.00 57.16 57.24 1q48 n GLU 12 Cb 0.29 -1.90 0.02 0.00 -1.01 0.00 0.00 31.44 28.84 1q48 n GLU 12 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1q48 n ASN 13 N 2.12 -4.00 -2.40 1.62 4.13 -1.26 -4.46 115.26 111.01 1q48 n ASN 13 Ca 0.16 0.28 -0.02 0.00 1.68 0.00 0.00 54.58 56.69 1q48 n ASN 13 Cb 0.22 -0.62 -0.03 0.00 -1.54 0.00 0.00 39.78 37.82 1q48 n ASN 13 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1q48 n PRO 14 N 1.65 0.31 -1.60 3.52 -0.04 -1.26 -4.80 135.00 132.77 1q48 n PRO 14 Ca 0.01 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1q48 n PRO 14 Cb 0.41 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 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 2.88 -4.24 0.00 0.54 0.63 -1.26 -5.08 116.66 110.13 1q48 n ARG 15 Ca 0.06 3.28 0.00 0.00 -0.92 0.00 0.00 57.85 60.28 1q48 n ARG 15 Cb 0.14 -4.07 0.00 0.00 0.45 0.00 0.00 32.46 28.98 1q48 n ARG 15 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1q48 n ASN 16 N -2.51 3.33 -4.51 6.15 2.85 -1.26 -5.05 115.26 114.26 1q48 n ASN 16 Ca 0.00 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 1q48 n ASN 16 Cb 0.46 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.31 1q48 n ASN 16 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1q48 n VAL 17 N 0.00 -0.01 -3.40 3.44 3.14 -1.26 -4.77 118.33 115.47 1q48 n VAL 17 Ca 0.00 -0.27 -0.27 0.00 -2.96 0.00 0.00 64.34 60.84 1q48 n VAL 17 Cb 0.00 -0.52 -0.10 0.00 -1.06 0.00 0.00 33.84 32.16 1q48 n VAL 17 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1q48 s GLY 18 N 5.78 1.22 1.46 7.55 0.00 -1.26 -5.13 107.32 116.93 1q48 s GLY 18 Ca 1.30 -2.46 -0.24 0.00 0.00 0.00 0.00 44.72 43.32 1q48 s GLY 18 CO 0.49 2.10 0.91 -0.45 0.00 0.00 0.00 173.10 176.15 1q48 s SER 19 N 0.07 -1.36 -0.24 1.64 0.15 -1.26 -3.86 113.70 108.84 1q48 s SER 19 Ca 0.32 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1q48 s SER 19 Cb 0.03 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 1q48 s SER 19 CO -0.19 -5.54 0.00 -0.11 1.20 0.00 0.00 173.24 168.60 1q48 n LEU 20 N -5.75 -0.05 0.00 3.45 7.94 -1.26 -4.83 117.00 116.49 1q48 n LEU 20 Ca 0.14 0.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1q48 n LEU 20 Cb 0.61 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.58 1q48 n LEU 20 CO 0.41 -0.23 0.11 0.47 -1.11 0.00 0.00 177.39 177.05 1q48 n ASP 21 N 0.51 0.00 0.00 1.96 9.92 -1.25 -4.67 116.55 123.02 1q48 n ASP 21 Ca -0.02 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1q48 n ASP 21 Cb 0.13 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 1q48 n ASP 21 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1q48 n LYS 22 N -0.72 -1.37 -1.61 -1.24 5.02 -1.26 -4.64 118.16 112.34 1q48 n LYS 22 Ca 0.00 0.29 0.02 0.00 -2.02 0.00 0.00 58.31 56.61 1q48 n LYS 22 Cb 0.00 -4.44 0.06 0.00 -0.02 0.00 0.00 35.03 30.63 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 0.09 0.77 -3.70 1.97 5.02 -1.26 -5.08 118.16 115.96 1q48 n LYS 23 Ca 0.00 -2.60 -0.22 0.00 -2.02 0.00 0.00 58.31 53.47 1q48 n LYS 23 Cb 0.29 -0.68 -0.04 0.00 -0.02 0.00 0.00 35.03 34.58 1q48 n LYS 23 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q48 s ASP 24 N -2.62 4.95 0.00 4.39 1.11 -1.26 -5.01 116.67 118.22 1q48 s ASP 24 Ca 0.34 -0.78 0.26 0.00 0.18 0.00 0.00 52.55 52.55 1q48 s ASP 24 Cb 0.38 -0.60 0.61 0.00 1.07 0.00 0.00 42.92 44.38 1q48 s ASP 24 CO -0.12 -0.59 1.49 -0.24 1.18 0.00 0.00 175.17 176.89 1q48 n SER 25 N -1.46 2.13 -0.71 0.27 2.88 -1.26 -3.88 113.62 111.58 1q48 n SER 25 Ca 0.02 -1.67 0.06 0.00 -1.33 0.00 0.00 58.87 55.95 1q48 n SER 25 Cb 0.62 0.04 0.18 0.00 -0.75 0.00 0.00 64.21 64.30 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 0.60 3.16 -3.94 -3.46 4.13 -1.26 -4.88 115.26 109.60 1q48 n ASN 26 Ca 0.16 -2.21 -0.30 0.00 1.68 0.00 0.00 54.58 53.91 1q48 n ASN 26 Cb 0.46 -0.30 -0.15 0.00 -1.54 0.00 0.00 39.78 38.25 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 -1.37 1.62 0.11 2.41 1.01 -1.25 -1.82 120.40 121.11 1q48 s VAL 27 Ca 0.28 -1.43 0.08 0.00 0.00 0.00 0.00 61.98 60.91 1q48 s VAL 27 Cb 0.17 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1q48 s VAL 27 CO 0.15 -0.22 -0.13 -0.83 0.00 0.00 0.00 175.10 174.07 1q48 s GLY 28 N 1.32 1.75 0.04 4.51 0.00 -1.23 -4.69 107.32 109.03 1q48 s GLY 28 Ca -0.02 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.42 1q48 s GLY 28 CO -0.08 -1.28 -0.08 -1.59 0.00 0.00 0.00 173.10 170.07 1q48 s THR 29 N -1.22 0.55 -0.26 0.90 2.01 -1.26 -2.25 115.64 114.10 1q48 s THR 29 Ca 0.20 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 1q48 s THR 29 Cb -0.11 -0.60 0.11 0.00 0.01 0.00 0.00 72.50 71.91 1q48 s THR 29 CO 0.13 -0.32 0.22 -0.83 -0.69 0.00 0.00 174.62 173.12 1q48 s GLY 30 N -1.42 0.10 -0.14 4.40 0.00 -0.43 -4.14 107.32 105.69 1q48 s GLY 30 Ca -0.08 -0.38 -0.17 0.00 0.00 0.00 0.00 44.72 44.08 1q48 s GLY 30 CO 0.00 2.31 0.43 -0.29 0.00 0.00 0.00 173.10 175.55 1q48 s MET 31 N 2.27 4.30 0.06 2.90 1.75 -1.26 -2.09 119.30 127.23 1q48 s MET 31 Ca 0.08 0.35 -0.01 0.00 -1.25 0.00 0.00 55.69 54.87 1q48 s MET 31 Cb -0.15 -3.45 0.00 0.00 2.84 0.00 0.00 34.83 34.07 1q48 s MET 31 CO -0.27 0.14 0.10 1.33 -0.65 0.00 0.00 175.02 175.66 1q48 n VAL 32 N 3.76 0.00 -1.49 10.11 0.24 -0.26 -5.01 118.33 125.69 1q48 n VAL 32 Ca -0.08 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1q48 n VAL 32 Cb 0.52 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 1q48 n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q48 n GLY 33 N -0.10 -1.11 3.10 7.63 0.00 -1.26 -0.70 105.19 112.75 1q48 n GLY 33 Ca -0.00 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.31 3.43 0.23 4.61 0.00 0.50 -4.92 121.76 124.30 1q48 s ALA 34 Ca 0.00 -3.01 -0.07 0.00 0.00 0.00 0.00 51.96 48.88 1q48 s ALA 34 Cb 0.00 -2.56 0.39 0.00 0.00 0.00 0.00 23.12 20.95 1q48 s ALA 34 CO 0.00 -2.00 1.70 -1.35 0.00 0.00 0.00 175.76 174.11 1q48 h PRO 35 N 7.36 0.27 -0.87 0.00 0.11 -1.97 -1.55 132.00 135.35 1q48 h PRO 35 Ca -0.06 -0.02 0.31 0.00 0.11 0.00 0.00 66.00 66.35 1q48 h PRO 35 Cb 0.98 -0.06 -0.16 0.00 0.11 0.00 0.00 31.00 31.87 1q48 h PRO 35 CO 0.71 0.18 0.27 0.00 -0.21 0.00 0.00 178.00 178.95 1q48 n ALA 36 N -2.63 0.70 0.00 -0.75 0.00 -1.26 -4.61 120.51 111.96 1q48 n ALA 36 Ca 0.12 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.47 1q48 n ALA 36 Cb 0.40 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 0.00 -1.78 0.00 0.00 0.00 -1.04 -4.86 105.19 97.51 1q48 n GLY 38 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.89 1q48 n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q48 n ASP 39 N -5.02 0.00 -4.89 1.61 2.03 -1.16 -4.43 116.55 104.69 1q48 n ASP 39 Ca 0.04 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.02 1q48 n ASP 39 Cb 0.25 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.60 1q48 n ASP 39 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1q48 s VAL 40 N -2.00 5.21 -0.06 5.18 0.11 -1.26 -0.37 120.40 127.20 1q48 s VAL 40 Ca 0.00 0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 59.19 1q48 s VAL 40 Cb 0.00 -3.61 0.04 0.00 -1.53 0.00 0.00 36.38 31.28 1q48 s VAL 40 CO 0.00 0.22 0.11 -0.32 -3.33 0.00 0.00 175.10 171.79 1q48 s MET 41 N -2.14 0.03 -0.03 1.54 1.75 0.13 -3.96 119.30 116.62 1q48 s MET 41 Ca 0.34 0.38 0.05 0.00 -1.25 0.00 0.00 55.69 55.21 1q48 s MET 41 Cb -0.13 -0.26 -0.03 0.00 2.84 0.00 0.00 34.83 37.26 1q48 s MET 41 CO 0.20 -0.22 -0.17 -1.14 -0.65 0.00 0.00 175.02 173.04 1q48 s GLN 42 N 1.55 2.36 -0.05 4.11 0.74 -0.78 -1.10 119.66 126.50 1q48 s GLN 42 Ca -0.04 -0.78 -0.02 0.00 0.05 0.00 0.00 55.36 54.56 1q48 s GLN 42 Cb -0.12 -2.28 0.04 0.00 1.10 0.00 0.00 33.01 31.74 1q48 s GLN 42 CO -0.05 0.60 0.09 -1.17 -0.55 0.00 0.00 175.29 174.21 1q48 s LEU 43 N -0.80 0.18 0.15 3.68 2.96 -0.89 -2.04 118.68 121.93 1q48 s LEU 43 Ca 0.12 0.17 0.10 0.00 -0.22 0.00 0.00 54.13 54.29 1q48 s LEU 43 Cb -0.10 0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.57 1q48 s LEU 43 CO 0.01 -0.23 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.00 1q48 s GLN 44 N 2.07 1.34 0.15 1.98 0.74 -0.67 -1.31 119.66 123.96 1q48 s GLN 44 Ca 0.03 -1.38 0.09 0.00 0.05 0.00 0.00 55.36 54.15 1q48 s GLN 44 Cb -0.12 -1.61 -0.04 0.00 1.10 0.00 0.00 33.01 32.34 1q48 s GLN 44 CO -0.04 0.35 -0.21 0.96 -0.55 0.00 0.00 175.29 175.80 1q48 s ILE 45 N -1.57 1.98 -0.07 -2.34 -4.36 -0.96 -1.61 121.20 112.27 1q48 s ILE 45 Ca 0.15 -1.83 0.03 0.00 -0.26 0.00 0.00 60.65 58.75 1q48 s ILE 45 Cb -0.08 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.78 1q48 s ILE 45 CO 0.07 -0.15 -0.18 -0.75 0.24 0.00 0.00 174.94 174.18 1q48 s LYS 46 N -2.43 2.23 -0.03 0.37 2.20 -0.20 -3.49 119.74 118.39 1q48 s LYS 46 Ca 0.14 -0.63 0.05 0.00 -0.36 0.00 0.00 55.97 55.17 1q48 s LYS 46 Cb -0.08 -1.78 -0.01 0.00 -1.51 0.00 0.00 37.83 34.45 1q48 s LYS 46 CO 0.07 0.13 -0.18 0.08 -0.36 0.00 0.00 175.35 175.09 1q48 s VAL 47 N 0.42 1.46 0.00 4.02 1.01 -0.76 0.55 120.40 127.10 1q48 s VAL 47 Ca -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1q48 s VAL 47 Cb -0.16 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1q48 s VAL 47 CO 0.05 0.42 0.00 0.47 0.00 0.00 0.00 175.10 176.04 1q48 n ASP 48 N 2.89 0.00 -2.53 3.32 8.00 -0.68 -4.76 116.55 122.79 1q48 n ASP 48 Ca -0.17 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.31 1q48 n ASP 48 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 1q48 n ASP 48 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1q48 n ASP 49 N -0.24 0.94 -2.07 -2.24 8.00 -1.21 -4.06 116.55 115.67 1q48 n ASP 49 Ca 0.00 -1.73 -0.06 0.00 0.71 0.00 0.00 54.79 53.70 1q48 n ASP 49 Cb 0.00 -0.31 0.03 0.00 -0.02 0.00 0.00 41.12 40.83 1q48 n ASP 49 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1q48 n ASN 50 N 3.25 -2.95 0.00 -2.24 3.02 -1.26 -3.14 115.26 111.95 1q48 n ASN 50 Ca 0.08 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1q48 n ASN 50 Cb 0.13 -2.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.97 1q48 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q48 n GLY 51 N -1.23 0.56 3.95 7.41 0.00 -1.26 -5.00 105.19 109.62 1q48 n GLY 51 Ca -0.07 0.00 -0.24 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 -2.46 5.21 -0.70 -0.61 -1.09 -1.19 -4.68 121.20 115.69 1q48 s ILE 52 Ca 0.00 -0.61 -0.27 0.00 -2.23 0.00 0.00 60.65 57.54 1q48 s ILE 52 Cb 0.00 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1q48 s ILE 52 CO 0.00 -0.30 1.58 -0.63 -1.23 0.00 0.00 174.94 174.36 1q48 s ILE 53 N -1.99 3.55 0.09 2.92 1.01 -0.54 -1.68 121.20 124.55 1q48 s ILE 53 Ca 0.37 0.24 -0.25 0.00 0.00 0.00 0.00 60.65 61.01 1q48 s ILE 53 Cb -0.10 -4.45 -0.15 0.00 0.01 0.00 0.00 42.46 37.77 1q48 s ILE 53 CO 0.31 -1.40 1.71 -0.08 0.00 0.00 0.00 174.94 175.48 1q48 h GLU 54 N 12.32 -0.20 0.00 2.79 4.22 -0.21 -0.41 114.58 133.09 1q48 h GLU 54 Ca -0.24 0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.08 1q48 h GLU 54 Cb 1.10 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1q48 h GLU 54 CO 1.26 -0.13 -0.07 -3.47 -2.18 0.00 0.00 179.01 174.42 1q48 n ASP 55 N -5.18 -0.69 -3.66 1.04 2.03 -1.17 -4.29 116.55 104.64 1q48 n ASP 55 Ca -0.08 -1.93 -0.05 0.00 0.52 0.00 0.00 54.79 53.24 1q48 n ASP 55 Cb 0.11 1.28 -0.07 0.00 -0.72 0.00 0.00 41.12 41.72 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 -2.15 -1.64 0.09 -1.67 0.00 -1.26 -1.04 121.76 114.09 1q48 s ALA 56 Ca 0.14 2.02 -0.07 0.00 0.00 0.00 0.00 51.96 54.05 1q48 s ALA 56 Cb -0.01 -1.49 -0.06 0.00 0.00 0.00 0.00 23.12 21.57 1q48 s ALA 56 CO 0.10 -0.71 0.37 0.15 0.00 0.00 0.00 175.76 175.67 1q48 s LYS 57 N 2.44 3.67 0.19 0.00 1.02 -0.64 -4.97 119.74 121.46 1q48 s LYS 57 Ca -0.06 0.03 0.02 0.00 0.02 0.00 0.00 55.97 55.98 1q48 s LYS 57 Cb -0.10 -2.95 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1q48 s LYS 57 CO -0.17 0.54 0.02 -0.59 -0.92 0.00 0.00 175.35 174.23 1q48 s PHE 58 N -1.48 1.28 -0.30 3.18 -0.71 -1.26 -1.67 117.98 117.01 1q48 s PHE 58 Ca 0.35 -1.04 -0.07 0.00 -1.04 0.00 0.00 56.93 55.13 1q48 s PHE 58 Cb -0.13 -0.73 0.17 0.00 -1.21 0.00 0.00 43.02 41.12 1q48 s PHE 58 CO 0.20 -0.22 0.72 0.21 -1.34 0.00 0.00 175.22 174.79 1q48 s LYS 59 N -3.93 0.49 -0.03 1.99 2.20 -0.86 -4.97 119.74 114.62 1q48 s LYS 59 Ca 0.26 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.90 1q48 s LYS 59 Cb 0.06 0.59 0.03 0.00 -1.51 0.00 0.00 37.83 37.00 1q48 s LYS 59 CO 0.06 -0.38 0.00 0.95 -0.36 0.00 0.00 175.35 175.62 1q48 s THR 60 N 2.83 0.17 -0.20 3.43 -4.23 -1.26 -1.86 115.64 114.52 1q48 s THR 60 Ca 0.07 0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.63 1q48 s THR 60 Cb -0.12 -0.27 0.09 0.00 1.34 0.00 0.00 72.50 73.54 1q48 s THR 60 CO -0.19 0.15 0.40 -0.47 -0.54 0.00 0.00 174.62 173.97 1q48 s TYR 61 N 1.11 -0.76 0.00 3.99 6.14 -1.25 -4.88 117.35 121.68 1q48 s TYR 61 Ca -0.09 1.37 0.00 0.00 0.64 0.00 0.00 57.07 59.00 1q48 s TYR 61 Cb -0.13 0.23 0.00 0.00 0.42 0.00 0.00 41.96 42.48 1q48 s TYR 61 CO -0.02 -0.50 0.00 0.41 0.64 0.00 0.00 175.55 176.08 1q48 n GLY 62 N 5.38 1.81 3.63 8.97 0.00 -1.26 -4.31 105.19 119.42 1q48 n GLY 62 Ca -0.08 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 2.53 2.19 0.26 0.00 0.00 -1.26 -3.70 105.19 105.22 1q48 n GLY 64 Ca -0.18 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.17 2.77 0.22 1.61 7.64 -1.26 -4.69 113.62 120.08 1q48 n SER 65 Ca 0.08 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.02 1q48 n SER 65 Cb 0.60 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.29 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 0.00 1.51 0.00 -0.43 0.00 -2.00 -2.37 119.26 115.97 1q48 h ALA 66 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1q48 h ALA 66 Cb 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1q48 h ALA 66 CO 0.00 0.30 0.11 -0.89 0.00 0.00 0.00 179.25 178.77 1q48 n ILE 67 N -4.11 0.52 -0.10 0.00 2.08 -1.26 -1.36 119.36 115.13 1q48 n ILE 67 Ca -0.02 0.24 -0.16 0.00 0.56 0.00 0.00 62.75 63.37 1q48 n ILE 67 Cb 0.30 -1.24 -0.06 0.00 -0.75 0.00 0.00 39.64 37.90 1q48 n ILE 67 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1q48 n ALA 68 N -1.01 0.90 0.33 -1.39 0.00 -0.89 -4.22 120.51 114.23 1q48 n ALA 68 Ca 0.00 -0.82 0.12 0.00 0.00 0.00 0.00 53.44 52.74 1q48 n ALA 68 Cb 0.11 0.01 0.62 0.00 0.00 0.00 0.00 19.45 20.18 1q48 n ALA 68 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1q48 h SER 69 N -1.00 0.00 0.33 0.00 0.02 -1.38 -1.77 113.55 109.76 1q48 h SER 69 Ca -0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1q48 h SER 69 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1q48 h SER 69 CO -0.14 0.00 -0.16 0.77 -1.14 0.00 0.00 176.83 176.16 1q48 h SER 70 N 0.00 -0.38 -0.94 3.07 4.64 -1.69 -2.12 113.55 116.14 1q48 h SER 70 Ca 0.00 0.01 0.22 0.00 -0.47 0.00 0.00 61.79 61.56 1q48 h SER 70 Cb 1.01 0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 63.12 1q48 h SER 70 CO -0.00 -0.09 0.62 0.77 -0.87 0.00 0.00 176.83 177.26 1q48 h SER 71 N -0.81 0.42 0.00 4.97 4.64 -1.50 0.71 113.55 121.97 1q48 h SER 71 Ca -0.05 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q48 h SER 71 Cb 0.34 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1q48 h SER 71 CO 0.07 0.15 0.00 -0.11 -0.87 0.00 0.00 176.83 176.07 1q48 n LEU 72 N -4.53 1.28 -0.32 5.97 7.94 -1.02 -1.84 117.00 124.49 1q48 n LEU 72 Ca 0.21 0.29 0.09 0.00 -1.11 0.00 0.00 56.01 55.48 1q48 n LEU 72 Cb 0.74 -0.01 0.20 0.00 0.53 0.00 0.00 43.42 44.88 1q48 n LEU 72 CO 0.30 -0.01 0.76 -0.29 -1.11 0.00 0.00 177.39 177.04 1q48 h ILE 73 N 0.00 0.12 -0.88 1.96 2.10 -1.34 1.20 117.51 120.68 1q48 h ILE 73 Ca 0.00 -0.01 0.14 0.00 1.08 0.00 0.00 64.86 66.07 1q48 h ILE 73 Cb 0.00 0.09 -0.07 0.00 -1.09 0.00 0.00 36.82 35.75 1q48 h ILE 73 CO 0.00 0.01 0.57 0.71 -1.08 0.00 0.00 178.15 178.35 1q48 h THR 74 N 0.03 0.83 0.00 2.19 1.35 -0.95 0.58 112.91 116.94 1q48 h THR 74 Ca 0.49 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 1q48 h THR 74 Cb 0.90 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1q48 h THR 74 CO -0.87 0.12 0.00 1.21 -0.25 0.00 0.00 175.52 175.73 1q48 n GLU 75 N -4.55 0.16 0.00 4.72 2.13 0.40 -2.96 120.64 120.54 1q48 n GLU 75 Ca 0.17 0.14 0.11 0.00 0.66 0.00 0.00 57.16 58.24 1q48 n GLU 75 Cb 0.48 -1.69 0.01 0.00 0.27 0.00 0.00 31.44 30.51 1q48 n GLU 75 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1q48 n TRP 76 N -1.97 0.00 -1.98 4.31 7.02 0.18 -4.32 117.44 120.68 1q48 n TRP 76 Ca 0.06 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.54 1q48 n TRP 76 Cb 0.38 0.00 0.12 0.00 -2.42 0.00 0.00 31.31 29.39 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 0.14 1.67 -3.81 -0.99 0.24 -0.01 -4.85 118.33 110.71 1q48 n VAL 77 Ca 0.10 -2.86 -0.36 0.00 -2.04 0.00 0.00 64.34 59.17 1q48 n VAL 77 Cb 0.48 0.02 -0.12 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.59 2.32 0.00 7.34 2.20 -1.21 -4.43 119.74 123.37 1q48 s LYS 78 Ca 0.38 -1.47 0.00 0.00 -0.36 0.00 0.00 55.97 54.53 1q48 s LYS 78 Cb 0.38 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1q48 s LYS 78 CO -0.07 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.51 1q48 n GLY 79 N 4.67 0.79 0.32 5.54 0.00 -0.16 -5.03 105.19 111.32 1q48 n GLY 79 Ca -0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.42 0.46 -4.33 1.61 4.76 -1.26 -4.63 118.16 112.36 1q48 n LYS 80 Ca 0.00 -0.22 -0.30 0.00 -2.87 0.00 0.00 58.31 54.92 1q48 n LYS 80 Cb 0.00 -0.06 -0.10 0.00 -1.84 0.00 0.00 35.03 33.02 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 -1.35 4.30 0.64 4.39 0.01 -1.26 -1.47 113.70 118.97 1q48 s SER 81 Ca 0.06 -0.37 0.26 0.00 1.31 0.00 0.00 55.95 57.21 1q48 s SER 81 Cb -0.00 -0.81 1.38 0.00 0.21 0.00 0.00 66.02 66.80 1q48 s SER 81 CO 0.04 0.20 1.79 -0.07 0.41 0.00 0.00 173.24 175.61 1q48 h LEU 82 N 3.88 0.00 0.00 2.44 3.38 -1.97 1.53 115.31 124.57 1q48 h LEU 82 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1q48 h LEU 82 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1q48 h LEU 82 CO 0.51 0.00 -0.29 -0.08 0.09 0.00 0.00 178.44 178.67 1q48 h GLU 83 N 0.00 0.00 0.00 1.13 4.81 -1.93 -0.87 114.58 117.72 1q48 h GLU 83 Ca 0.08 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.07 1q48 h GLU 83 Cb 1.05 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1q48 h GLU 83 CO -0.00 0.00 -1.60 0.39 -0.73 0.00 0.00 179.01 177.07 1q48 n GLU 84 N -2.27 0.63 -0.01 1.92 -0.58 0.52 -4.13 120.64 116.72 1q48 n GLU 84 Ca 0.04 0.26 0.06 0.00 -0.42 0.00 0.00 57.16 57.10 1q48 n GLU 84 Cb 0.44 -1.79 -0.14 0.00 -0.57 0.00 0.00 31.44 29.39 1q48 n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q48 n ALA 85 N -2.49 2.45 -1.42 0.62 0.00 -0.91 -4.38 120.51 114.38 1q48 n ALA 85 Ca -0.14 -0.63 -0.27 0.00 0.00 0.00 0.00 53.44 52.40 1q48 n ALA 85 Cb 0.96 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.61 1q48 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q48 n GLY 86 N 1.35 4.11 0.00 0.00 0.00 -0.33 -3.65 105.19 106.67 1q48 n GLY 86 Ca -0.09 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 1.98 0.00 -0.90 4.61 0.00 -1.26 -4.92 120.51 120.03 1q48 n ALA 87 Ca 0.55 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.64 1q48 n ALA 87 Cb 0.54 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.73 0.00 -3.77 0.00 -5.35 -1.24 -5.01 119.36 103.27 1q48 n ILE 88 Ca 0.00 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1q48 n ILE 88 Cb 0.00 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 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 0.60 1.55 -0.04 6.28 4.01 -1.26 -5.02 118.16 124.29 1q48 n LYS 89 Ca 0.01 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.83 1q48 n LYS 89 Cb 0.59 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 34.97 1q48 n LYS 89 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1q48 n ASN 90 N -1.34 0.96 -0.02 4.39 6.94 -1.26 -4.37 115.26 120.55 1q48 n ASN 90 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 54.58 54.49 1q48 n ASN 90 Cb 0.00 1.41 0.11 0.00 -2.36 0.00 0.00 39.78 38.94 1q48 n ASN 90 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1q48 h SER 91 N 0.00 0.64 0.00 0.53 0.87 -1.97 -2.16 113.55 111.45 1q48 h SER 91 Ca -0.20 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1q48 h SER 91 Cb 1.34 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1q48 h SER 91 CO 0.01 0.94 0.00 0.00 -0.53 0.00 0.00 176.83 177.25 1q48 n GLN 92 N -4.05 0.00 -0.33 2.24 6.02 -1.26 -1.91 117.38 118.09 1q48 n GLN 92 Ca -0.01 0.32 0.23 0.00 -0.01 0.00 0.00 57.00 57.53 1q48 n GLN 92 Cb 0.49 -1.27 0.45 0.00 1.02 0.00 0.00 30.24 30.93 1q48 n GLN 92 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1q48 h ILE 93 N 0.00 0.24 -0.90 5.09 2.04 -1.76 1.34 117.51 123.55 1q48 h ILE 93 Ca 0.00 -0.08 0.15 0.00 1.00 0.00 0.00 64.86 65.93 1q48 h ILE 93 Cb 0.00 -0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 35.99 1q48 h ILE 93 CO 0.00 0.04 0.58 0.00 0.00 0.00 0.00 178.15 178.77 1q48 h ALA 94 N 1.87 1.86 0.02 1.87 0.00 -1.25 -0.28 119.26 123.34 1q48 h ALA 94 Ca 0.71 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 55.38 1q48 h ALA 94 Cb 1.63 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.33 1q48 h ALA 94 CO -0.66 -0.11 -1.05 1.49 0.00 0.00 0.00 179.25 178.92 1q48 h GLU 95 N 0.67 0.58 -0.97 0.00 4.81 0.24 -0.09 114.58 119.83 1q48 h GLU 95 Ca 0.46 -0.65 0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1q48 h GLU 95 Cb 0.77 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 1q48 h GLU 95 CO -0.21 1.26 0.63 1.49 -0.73 0.00 0.00 179.01 181.44 1q48 h GLU 96 N 0.31 1.09 0.00 1.92 4.22 -0.19 -1.51 114.58 120.42 1q48 h GLU 96 Ca -0.12 -0.07 -0.07 0.00 0.08 0.00 0.00 59.36 59.18 1q48 h GLU 96 Cb 1.70 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1q48 h GLU 96 CO 0.20 0.72 -0.98 -0.07 -2.18 0.00 0.00 179.01 176.70 1q48 h LEU 97 N 1.12 0.00 -3.07 1.64 4.07 -1.30 -3.49 115.31 114.29 1q48 h LEU 97 Ca 0.41 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 58.13 1q48 h LEU 97 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1q48 h LEU 97 CO -0.16 0.26 -0.58 1.21 -1.08 0.00 0.00 178.44 178.09 1q48 n GLU 98 N -2.86 -1.48 -4.53 1.13 2.13 -0.05 -4.99 120.64 109.99 1q48 n GLU 98 Ca -0.03 1.16 -0.30 0.00 0.66 0.00 0.00 57.16 58.66 1q48 n GLU 98 Cb 0.67 -3.98 -0.13 0.00 0.27 0.00 0.00 31.44 28.27 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 -4.36 2.48 -0.80 4.31 2.34 -1.25 -5.03 118.68 116.38 1q48 s LEU 99 Ca 0.02 -0.58 -0.35 0.00 0.06 0.00 0.00 54.13 53.29 1q48 s LEU 99 Cb -0.00 -1.41 -0.20 0.00 -0.56 0.00 0.00 46.19 44.01 1q48 s LEU 99 CO 0.83 0.21 2.43 -2.65 -1.06 0.00 0.00 176.35 176.10 1q48 n PRO 100 N 1.20 0.00 0.16 1.48 -0.02 -1.26 -4.72 135.00 131.84 1q48 n PRO 100 Ca -0.17 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.37 1q48 n PRO 100 Cb 0.52 -1.46 0.29 0.00 -0.02 0.00 0.00 33.50 32.83 1q48 n PRO 100 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1q48 n PRO 101 N 7.91 0.08 0.00 0.52 -0.02 -1.26 -2.00 135.00 140.22 1q48 n PRO 101 Ca 0.60 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 1q48 n PRO 101 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1q48 n PRO 101 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1q48 n VAL 102 N -1.99 0.00 -2.71 -1.45 0.24 -1.26 -2.95 118.33 108.21 1q48 n VAL 102 Ca -0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.22 1q48 n VAL 102 Cb 0.40 -0.38 0.08 0.00 -1.47 0.00 0.00 33.84 32.47 1q48 n VAL 102 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1q48 n LYS 103 N -0.38 0.65 -0.76 7.34 4.81 -0.85 -5.00 118.16 123.98 1q48 n LYS 103 Ca 0.00 -1.45 -0.11 0.00 -0.87 0.00 0.00 58.31 55.88 1q48 n LYS 103 Cb 0.00 -0.85 0.03 0.00 0.02 0.00 0.00 35.03 34.23 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 0.89 2.51 0.10 3.15 0.31 -1.15 -4.16 118.33 119.98 1q48 n VAL 104 Ca 0.04 -1.27 0.03 0.00 -0.01 0.00 0.00 64.34 63.13 1q48 n VAL 104 Cb 0.69 -1.37 -0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 1.29 0.00 0.12 3.52 -0.00 -1.94 -3.17 115.15 114.97 1q48 h HIS 105 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 1q48 h HIS 105 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.37 1q48 h HIS 105 CO 0.62 0.43 -0.06 0.00 -0.00 0.00 0.00 177.93 178.93 1q48 h SER 107 N -0.75 -0.40 -0.76 0.00 0.02 -1.88 -0.61 113.55 109.17 1q48 h SER 107 Ca -0.02 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.06 1q48 h SER 107 Cb 0.55 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 1q48 h SER 107 CO 0.03 -0.20 0.50 0.40 -1.14 0.00 0.00 176.83 176.41 1q48 h ILE 108 N -0.26 1.02 -0.66 3.27 2.04 -1.63 -0.80 117.51 120.50 1q48 h ILE 108 Ca 0.04 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 1q48 h ILE 108 Cb 0.30 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1q48 h ILE 108 CO -0.11 0.14 0.11 -0.07 0.00 0.00 0.00 178.15 178.22 1q48 h LEU 109 N 0.79 1.03 -0.46 1.44 4.07 -0.25 -0.24 115.31 121.69 1q48 h LEU 109 Ca 0.33 -0.24 -0.04 0.00 0.08 0.00 0.00 57.88 58.01 1q48 h LEU 109 Cb 0.27 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1q48 h LEU 109 CO -0.11 1.02 0.14 0.00 -1.08 0.00 0.00 178.44 178.41 1q48 h ALA 110 N 1.10 0.60 0.57 1.53 0.00 0.26 -1.45 119.26 121.88 1q48 h ALA 110 Ca 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1q48 h ALA 110 Cb 0.43 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1q48 h ALA 110 CO 0.01 0.26 -0.27 1.49 0.00 0.00 0.00 179.25 180.74 1q48 h GLU 111 N 0.61 -0.74 -0.25 0.00 4.57 -1.10 -2.60 114.58 115.08 1q48 h GLU 111 Ca 0.15 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.45 1q48 h GLU 111 Cb 0.27 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1q48 h GLU 111 CO -0.00 -0.49 0.59 0.22 -1.18 0.00 0.00 179.01 178.14 1q48 h ASP 112 N -1.07 0.00 0.02 1.04 3.58 -1.08 0.60 116.42 119.51 1q48 h ASP 112 Ca -0.08 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 1q48 h ASP 112 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1q48 h ASP 112 CO 0.13 0.00 -0.01 0.00 -2.88 0.00 0.00 179.24 176.48 1q48 h ALA 113 N 1.05 -0.03 -0.86 -0.78 0.00 -0.93 -2.41 119.26 115.31 1q48 h ALA 113 Ca 0.12 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1q48 h ALA 113 Cb 1.30 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1q48 h ALA 113 CO -0.00 -0.16 0.52 0.97 0.00 0.00 0.00 179.25 180.58 1q48 h ILE 114 N -0.73 1.00 0.03 0.00 6.09 -0.52 -2.05 117.51 121.33 1q48 h ILE 114 Ca -0.00 -0.32 -0.00 0.00 -1.37 0.00 0.00 64.86 63.17 1q48 h ILE 114 Cb 0.68 -0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.96 1q48 h ILE 114 CO 0.00 0.17 -0.01 0.11 -3.07 0.00 0.00 178.15 175.35 1q48 h LYS 115 N 0.93 -0.04 -0.98 2.19 1.57 -1.52 -2.15 116.57 116.56 1q48 h LYS 115 Ca 0.39 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.40 1q48 h LYS 115 Cb 0.23 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 1q48 h LYS 115 CO -0.20 0.11 0.64 0.00 -0.57 0.00 0.00 179.45 179.43 1q48 h ALA 116 N 0.78 2.19 0.71 3.86 0.00 -0.88 0.24 119.26 126.16 1q48 h ALA 116 Ca -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1q48 h ALA 116 Cb 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1q48 h ALA 116 CO 0.01 -0.53 -0.34 0.00 0.00 0.00 0.00 179.25 178.38 1q48 h ALA 117 N 1.61 -1.14 -0.96 0.00 0.00 -0.74 -2.19 119.26 115.84 1q48 h ALA 117 Ca 0.54 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 55.41 1q48 h ALA 117 Cb 1.31 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 19.38 1q48 h ALA 117 CO -0.24 -1.07 0.61 0.82 0.00 0.00 0.00 179.25 179.37 1q48 h ILE 118 N -1.05 0.75 0.12 0.00 2.04 -1.02 -1.73 117.51 116.62 1q48 h ILE 118 Ca -0.10 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1q48 h ILE 118 Cb 0.73 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1q48 h ILE 118 CO 0.16 0.13 -0.12 0.00 0.00 0.00 0.00 178.15 178.32 1q48 h ALA 119 N 1.61 -0.84 -0.72 1.87 0.00 -0.74 -0.33 119.26 120.11 1q48 h ALA 119 Ca 0.52 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.54 1q48 h ALA 119 Cb 0.88 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1q48 h ALA 119 CO -0.29 -0.85 -0.05 -0.44 0.00 0.00 0.00 179.25 177.63 1q48 h ASP 120 N -0.24 -0.43 -0.75 0.00 5.19 -0.99 0.38 116.42 119.58 1q48 h ASP 120 Ca -0.01 0.19 0.16 0.00 -0.62 0.00 0.00 57.03 56.75 1q48 h ASP 120 Cb 0.21 0.36 -0.11 0.00 0.18 0.00 0.00 39.33 39.97 1q48 h ASP 120 CO -0.02 -0.19 0.22 0.22 -3.12 0.00 0.00 179.24 176.36 1q48 h TYR 121 N 0.07 0.36 0.36 4.55 5.03 -0.90 -0.11 116.97 126.33 1q48 h TYR 121 Ca 0.38 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.71 1q48 h TYR 121 Cb 0.64 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.88 1q48 h TYR 121 CO -0.46 -0.05 -0.17 -0.22 -1.32 0.00 0.00 178.16 175.94 1q48 h LYS 122 N 0.31 -0.46 -0.78 1.82 3.64 0.15 -3.09 116.57 118.17 1q48 h LYS 122 Ca 0.43 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 60.02 1q48 h LYS 122 Cb 0.73 0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.53 1q48 h LYS 122 CO -0.49 -0.16 0.11 0.00 -2.27 0.00 0.00 179.45 176.64 1q48 h ALA 123 N -0.27 0.94 0.00 5.00 0.00 -0.35 0.15 119.26 124.74 1q48 h ALA 123 Ca -0.05 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1q48 h ALA 123 Cb 0.52 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1q48 h ALA 123 CO 0.08 -0.41 -0.12 1.63 0.00 0.00 0.00 179.25 180.43 1q48 n LYS 124 N -5.26 1.25 0.00 0.00 5.02 -0.13 -3.20 118.16 115.83 1q48 n LYS 124 Ca 0.15 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1q48 n LYS 124 Cb 0.52 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1q48 n LYS 124 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1q48 n GLN 125 N 1.93 2.91 0.00 1.97 7.27 0.54 -4.47 117.38 127.53 1q48 n GLN 125 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.22 1q48 n GLN 125 Cb 0.60 -0.75 0.00 0.00 2.41 0.00 0.00 30.24 32.50 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 1.29 1.46 0.32 1.69 0.00 -1.20 -5.00 105.19 103.76 1q48 n GLY 126 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1q48 n GLY 126 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1q48 h LEU 127 N 0.00 0.00 0.00 0.99 5.85 -1.76 -3.43 115.31 116.96 1q48 h LEU 127 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1q48 h LEU 127 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1q48 h LEU 127 CO 0.00 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.48 1q48 n GLU 128 N -3.75 2.67 -3.81 1.25 1.02 -1.26 -5.14 120.64 111.62 1q48 n GLU 128 Ca -0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 1q48 n GLU 128 Cb 0.20 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.55 1q48 n GLU 128 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1q48 s HIS 129 N -0.09 0.07 0.00 -0.32 -3.43 -1.26 -5.11 115.29 105.15 1q48 s HIS 129 Ca 0.00 -0.48 0.00 0.00 -0.80 0.00 0.00 55.06 53.78 1q48 s HIS 129 Cb 0.00 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.17 1q48 s HIS 129 CO 0.00 -0.59 0.00 1.58 -2.00 0.00 0.00 174.74 173.73 1q48 n HIS 130 N -0.10 0.00 -3.17 0.38 -0.00 -1.26 -5.14 115.22 105.93 1q48 n HIS 130 Ca -0.15 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.05 1q48 n HIS 130 Cb 0.63 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.49 1q48 n HIS 130 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1q48 s HIS 131 N 3.98 -1.77 -0.00 1.57 2.46 -1.26 -5.15 115.29 115.12 1q48 s HIS 131 Ca 0.00 0.93 0.06 0.00 0.47 0.00 0.00 55.06 56.53 1q48 s HIS 131 Cb 0.00 0.27 -0.02 0.00 -0.13 0.00 0.00 32.58 32.71 1q48 s HIS 131 CO 0.00 -1.09 -0.20 -3.38 -2.47 0.00 0.00 174.74 167.60 1q48 s HIS 132 N 2.71 1.80 0.57 3.88 -3.43 -1.26 -5.13 115.29 114.43 1q48 s HIS 132 Ca 0.11 -0.35 -0.08 0.00 -0.80 0.00 0.00 55.06 53.94 1q48 s HIS 132 Cb -0.10 -1.13 0.12 0.00 -1.43 0.00 0.00 32.58 30.04 1q48 s HIS 132 CO -0.24 0.00 0.28 -2.39 -2.00 0.00 0.00 174.74 170.38 1q48 n HIS 133 N 2.39 -2.05 -1.44 0.38 1.44 -1.26 -5.34 115.22 109.34 1q48 n HIS 133 Ca -0.16 -0.12 0.00 0.00 -2.01 0.00 0.00 57.72 55.43 1q48 n HIS 133 Cb 0.53 -0.68 0.00 0.00 0.12 0.00 0.00 29.99 29.96 1q48 n HIS 133 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14