#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 2.96 -0.71 -5.12 0.00 -1.26 -5.01 121.76 112.62 1q48 s ALA 2 Ca 0.00 -2.63 0.05 0.00 0.00 0.00 0.00 51.96 49.38 1q48 s ALA 2 Cb 0.00 -2.01 0.21 0.00 0.00 0.00 0.00 23.12 21.31 1q48 s ALA 2 CO 0.00 -1.73 0.64 0.98 0.00 0.00 0.00 175.76 175.65 1q48 n TYR 3 N 4.13 3.48 0.00 0.00 9.36 -1.26 -5.08 117.16 127.78 1q48 n TYR 3 Ca 0.04 -4.20 0.00 0.00 3.32 0.00 0.00 57.90 57.06 1q48 n TYR 3 Cb 0.41 -0.67 0.00 0.00 -0.63 0.00 0.00 39.34 38.45 1q48 n TYR 3 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1q48 n SER 4 N 1.57 -0.15 -3.66 2.98 2.88 -1.26 -4.96 113.62 111.03 1q48 n SER 4 Ca 0.24 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.49 1q48 n SER 4 Cb 0.37 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.71 1q48 n SER 4 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1q48 s GLU 5 N -0.22 1.38 0.06 -1.46 2.02 -1.26 -5.10 118.70 114.12 1q48 s GLU 5 Ca 0.00 -2.24 -0.00 0.00 0.02 0.00 0.00 54.97 52.74 1q48 s GLU 5 Cb 0.00 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 1q48 s GLU 5 CO 0.00 -1.24 -0.04 0.15 0.02 0.00 0.00 175.26 174.15 1q48 s LYS 6 N -0.02 0.64 -0.48 1.61 1.02 -1.26 -5.07 119.74 116.18 1q48 s LYS 6 Ca 0.23 -1.20 0.05 0.00 0.02 0.00 0.00 55.97 55.07 1q48 s LYS 6 Cb -0.14 0.11 0.40 0.00 -0.52 0.00 0.00 37.83 37.68 1q48 s LYS 6 CO -0.08 -0.08 1.08 1.33 -0.92 0.00 0.00 175.35 176.68 1q48 n VAL 7 N 0.19 2.58 -2.19 3.17 0.24 -1.26 -4.88 118.33 116.18 1q48 n VAL 7 Ca -0.14 -5.10 -0.39 0.00 -2.04 0.00 0.00 64.34 56.67 1q48 n VAL 7 Cb 0.60 -1.30 0.01 0.00 -1.47 0.00 0.00 33.84 31.68 1q48 n VAL 7 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1q48 n ILE 8 N -0.42 5.13 -1.19 1.34 5.41 -1.26 -4.96 119.36 123.41 1q48 n ILE 8 Ca 0.37 -4.85 0.00 0.00 1.00 0.00 0.00 62.75 59.27 1q48 n ILE 8 Cb 0.59 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 1q48 n ILE 8 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1q48 n ASP 9 N 0.54 0.00 -1.56 4.38 2.03 -1.26 -5.12 116.55 115.56 1q48 n ASP 9 Ca 0.53 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1q48 n ASP 9 Cb 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1q48 n ASP 9 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1q48 n HIS 10 N -0.59 -1.49 -2.36 -0.67 8.25 -1.26 -5.07 115.22 112.04 1q48 n HIS 10 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1q48 n HIS 10 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.50 0.00 -2.15 4.41 4.01 -1.26 -5.08 117.16 116.60 1q48 n TYR 11 Ca 0.00 -0.44 -0.42 0.00 -0.16 0.00 0.00 57.90 56.88 1q48 n TYR 11 Cb 0.00 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 38.98 1q48 n TYR 11 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1q48 s GLU 12 N 0.00 4.21 0.79 -0.72 0.41 -1.26 -4.97 118.70 117.16 1q48 s GLU 12 Ca 0.24 2.01 -0.14 0.00 -0.41 0.00 0.00 54.97 56.68 1q48 s GLU 12 Cb 0.28 -3.87 0.07 0.00 -1.78 0.00 0.00 34.13 28.82 1q48 s GLU 12 CO -0.12 -0.77 1.17 0.09 -0.49 0.00 0.00 175.26 175.14 1q48 n ASN 13 N 6.75 1.01 0.03 -0.19 3.02 -1.26 -4.70 115.26 119.93 1q48 n ASN 13 Ca 0.16 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 1q48 n ASN 13 Cb 0.43 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 1q48 n ASN 13 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1q48 n PRO 14 N -2.97 0.00 -2.41 3.52 -0.02 -1.26 -4.48 135.00 127.39 1q48 n PRO 14 Ca 0.14 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 1q48 n PRO 14 Cb 0.50 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1q48 n PRO 14 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1q48 s ARG 15 N -2.23 4.56 -0.00 -0.52 0.52 -1.26 -4.92 118.95 115.09 1q48 s ARG 15 Ca -0.00 1.86 0.13 0.00 -0.52 0.00 0.00 55.73 57.20 1q48 s ARG 15 Cb 0.00 -3.20 -0.15 0.00 0.52 0.00 0.00 34.95 32.12 1q48 s ARG 15 CO 0.00 0.06 0.51 0.09 0.02 0.00 0.00 175.30 175.98 1q48 n ASN 16 N 1.72 0.77 -4.84 0.23 3.02 -1.26 -4.99 115.26 109.91 1q48 n ASN 16 Ca 0.01 -0.70 -0.23 0.00 -0.03 0.00 0.00 54.58 53.64 1q48 n ASN 16 Cb 0.45 1.07 0.07 0.00 -0.61 0.00 0.00 39.78 40.76 1q48 n ASN 16 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q48 s VAL 17 N -2.29 2.39 0.00 2.41 1.01 -1.26 -4.86 120.40 117.80 1q48 s VAL 17 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1q48 s VAL 17 Cb 0.09 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1q48 s VAL 17 CO 0.53 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1q48 n GLY 18 N -2.61 0.33 0.00 4.51 0.00 -1.26 -5.12 105.19 101.04 1q48 n GLY 18 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.10 1.61 2.88 -1.26 -5.06 113.62 107.69 1q48 n SER 19 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1q48 n SER 19 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1q48 n SER 19 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1q48 s LEU 20 N 0.00 5.34 0.01 2.46 1.43 -1.26 -4.92 118.68 121.75 1q48 s LEU 20 Ca 0.00 -3.02 -0.00 0.00 -1.03 0.00 0.00 54.13 50.08 1q48 s LEU 20 Cb 0.00 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1q48 s LEU 20 CO 0.00 -0.34 0.01 0.47 0.23 0.00 0.00 176.35 176.72 1q48 n ASP 21 N 3.28 -8.78 0.00 2.29 9.92 -1.26 -4.49 116.55 117.50 1q48 n ASP 21 Ca 0.11 1.82 0.00 0.00 -0.53 0.00 0.00 54.79 56.18 1q48 n ASP 21 Cb 0.38 -5.00 0.00 0.00 -0.64 0.00 0.00 41.12 35.86 1q48 n ASP 21 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1q48 n LYS 22 N 1.87 0.00 -0.11 -1.24 2.85 -1.26 -2.91 118.16 117.35 1q48 n LYS 22 Ca -0.01 0.00 0.27 0.00 -1.05 0.00 0.00 58.31 57.52 1q48 n LYS 22 Cb 0.02 -1.27 0.72 0.00 -0.65 0.00 0.00 35.03 33.84 1q48 n LYS 22 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1q48 h LYS 23 N 0.00 0.00 0.00 -1.58 3.64 -2.00 -3.47 116.57 113.17 1q48 h LYS 23 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1q48 h LYS 23 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1q48 h LYS 23 CO 0.00 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 173.71 1q48 n ASP 24 N -4.06 0.00 -0.05 4.20 -0.08 -1.15 -4.93 116.55 110.49 1q48 n ASP 24 Ca 0.16 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.43 1q48 n ASP 24 Cb 0.90 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.36 1q48 n ASP 24 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1q48 n SER 25 N 2.05 -3.82 0.00 1.67 7.64 -1.26 -4.22 113.62 115.67 1q48 n SER 25 Ca 0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1q48 n SER 25 Cb 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 1q48 n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1q48 n ASN 26 N -0.12 0.00 -4.57 6.43 6.94 -1.26 -5.04 115.26 117.64 1q48 n ASN 26 Ca -0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.14 1q48 n ASN 26 Cb 0.15 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.50 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1q48 s VAL 27 N 0.00 4.94 -0.28 3.53 1.01 -1.26 -1.61 120.40 126.73 1q48 s VAL 27 Ca 0.00 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 1q48 s VAL 27 Cb 0.00 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1q48 s VAL 27 CO 0.00 -0.27 0.45 -0.83 0.00 0.00 0.00 175.10 174.45 1q48 s GLY 28 N 1.77 1.86 -0.05 4.51 0.00 0.69 -4.50 107.32 111.59 1q48 s GLY 28 Ca 0.23 -0.76 -0.15 0.00 0.00 0.00 0.00 44.72 44.03 1q48 s GLY 28 CO 0.14 1.12 0.39 -1.59 0.00 0.00 0.00 173.10 173.17 1q48 s THR 29 N 2.21 5.12 -0.17 0.90 2.01 -1.26 -1.85 115.64 122.60 1q48 s THR 29 Ca 0.18 0.79 -0.05 0.00 0.31 0.00 0.00 61.69 62.92 1q48 s THR 29 Cb -0.16 -3.71 0.06 0.00 0.01 0.00 0.00 72.50 68.70 1q48 s THR 29 CO 0.10 0.50 0.09 -0.83 -0.69 0.00 0.00 174.62 173.79 1q48 s GLY 30 N -0.48 0.37 -0.13 4.40 0.00 -0.78 -3.86 107.32 106.84 1q48 s GLY 30 Ca 0.23 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.63 1q48 s GLY 30 CO 0.11 1.71 -0.13 -0.29 0.00 0.00 0.00 173.10 174.49 1q48 s MET 31 N 2.12 2.14 0.00 2.90 0.00 -1.26 -0.39 119.30 124.80 1q48 s MET 31 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 55.69 55.20 1q48 s MET 31 Cb -0.16 -1.93 0.00 0.00 0.00 0.00 0.00 34.83 32.74 1q48 s MET 31 CO -0.09 -0.17 0.00 1.33 0.00 0.00 0.00 175.02 176.09 1q48 n VAL 32 N 4.58 0.00 0.00 10.11 0.24 -0.02 -5.01 118.33 128.22 1q48 n VAL 32 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1q48 n VAL 32 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 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 3.86 1.82 3.62 7.63 0.00 -1.26 -1.99 105.19 118.88 1q48 n GLY 33 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.68 3.27 0.07 4.61 0.00 0.07 -4.95 121.76 123.15 1q48 s ALA 34 Ca 0.00 -0.78 0.16 0.00 0.00 0.00 0.00 51.96 51.34 1q48 s ALA 34 Cb 0.00 -1.68 0.38 0.00 0.00 0.00 0.00 23.12 21.82 1q48 s ALA 34 CO 0.00 0.34 1.59 -1.00 0.00 0.00 0.00 175.76 176.69 1q48 h PRO 35 N 6.14 0.00 0.00 0.00 0.13 -1.94 -0.61 132.00 135.72 1q48 h PRO 35 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1q48 h PRO 35 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1q48 h PRO 35 CO 0.63 0.49 0.00 0.00 -0.23 0.00 0.00 178.00 178.89 1q48 n ALA 36 N -2.29 0.00 0.36 -0.56 0.00 -1.26 -2.38 120.51 114.39 1q48 n ALA 36 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1q48 n ALA 36 Cb 0.63 0.21 0.23 0.00 0.00 0.00 0.00 19.45 20.52 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 1.49 0.28 3.69 0.00 0.00 -0.94 -5.01 105.19 104.70 1q48 n GLY 38 Ca 0.19 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1q48 n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q48 s ASP 39 N -3.31 6.74 -0.17 1.61 1.11 -0.28 -4.91 116.67 117.47 1q48 s ASP 39 Ca 0.02 0.89 -0.12 0.00 0.18 0.00 0.00 52.55 53.52 1q48 s ASP 39 Cb -0.01 -2.34 -0.05 0.00 1.07 0.00 0.00 42.92 41.60 1q48 s ASP 39 CO 0.18 -0.14 0.22 -0.69 1.18 0.00 0.00 175.17 175.91 1q48 s VAL 40 N 1.23 5.36 -0.06 -1.27 1.01 -1.26 -0.75 120.40 124.65 1q48 s VAL 40 Ca 0.29 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.68 1q48 s VAL 40 Cb -0.16 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1q48 s VAL 40 CO 0.12 0.44 -0.13 -0.32 0.00 0.00 0.00 175.10 175.21 1q48 s MET 41 N 0.22 1.78 0.01 2.72 1.75 -0.84 -3.71 119.30 121.23 1q48 s MET 41 Ca 0.13 -0.45 0.06 0.00 -1.25 0.00 0.00 55.69 54.18 1q48 s MET 41 Cb -0.12 -1.46 -0.02 0.00 2.84 0.00 0.00 34.83 36.07 1q48 s MET 41 CO 0.02 0.05 -0.19 -1.14 -0.65 0.00 0.00 175.02 173.11 1q48 s GLN 42 N 0.59 1.45 0.06 4.11 0.74 -0.55 -0.84 119.66 125.21 1q48 s GLN 42 Ca -0.14 -0.78 -0.09 0.00 0.05 0.00 0.00 55.36 54.41 1q48 s GLN 42 Cb -0.15 -1.46 0.00 0.00 1.10 0.00 0.00 33.01 32.49 1q48 s GLN 42 CO 0.04 0.39 0.18 -1.17 -0.55 0.00 0.00 175.29 174.18 1q48 s LEU 43 N -0.75 1.42 0.01 3.68 2.96 0.47 -1.24 118.68 125.24 1q48 s LEU 43 Ca 0.07 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 1q48 s LEU 43 Cb -0.08 0.96 -0.00 0.00 0.50 0.00 0.00 46.19 47.57 1q48 s LEU 43 CO 0.00 -0.62 0.10 -1.58 -1.32 0.00 0.00 176.35 172.94 1q48 s GLN 44 N -3.08 0.47 -0.04 1.98 0.74 -0.94 -1.87 119.66 116.92 1q48 s GLN 44 Ca -0.01 -0.48 -0.03 0.00 0.05 0.00 0.00 55.36 54.88 1q48 s GLN 44 Cb 0.01 0.19 0.01 0.00 1.10 0.00 0.00 33.01 34.32 1q48 s GLN 44 CO -0.07 -0.11 0.10 0.96 -0.55 0.00 0.00 175.29 175.63 1q48 s ILE 45 N -1.55 -0.00 0.05 -2.34 -5.25 -0.77 -1.80 121.20 109.54 1q48 s ILE 45 Ca -0.14 0.01 0.06 0.00 -0.99 0.00 0.00 60.65 59.59 1q48 s ILE 45 Cb -0.07 -0.15 -0.04 0.00 2.95 0.00 0.00 42.46 45.15 1q48 s ILE 45 CO 0.00 0.00 -0.12 -0.75 -1.79 0.00 0.00 174.94 172.29 1q48 s LYS 46 N 0.12 2.24 0.08 0.37 2.20 -0.23 -0.22 119.74 124.30 1q48 s LYS 46 Ca -0.01 -0.91 0.08 0.00 -0.36 0.00 0.00 55.97 54.77 1q48 s LYS 46 Cb -0.01 -2.33 -0.04 0.00 -1.51 0.00 0.00 37.83 33.94 1q48 s LYS 46 CO -0.00 0.55 -0.19 0.08 -0.36 0.00 0.00 175.35 175.42 1q48 s VAL 47 N -1.05 2.74 -0.13 4.02 1.01 -0.63 -2.73 120.40 123.62 1q48 s VAL 47 Ca 0.18 -1.38 -0.08 0.00 0.00 0.00 0.00 61.98 60.70 1q48 s VAL 47 Cb -0.11 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1q48 s VAL 47 CO 0.09 0.21 -0.15 -0.78 0.00 0.00 0.00 175.10 174.47 1q48 h ASP 48 N 4.14 0.00 0.00 3.32 3.58 -1.58 -3.44 116.42 122.44 1q48 h ASP 48 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1q48 h ASP 48 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1q48 h ASP 48 CO 0.46 0.71 0.00 -0.67 -2.88 0.00 0.00 179.24 176.86 1q48 n ASP 49 N -4.60 0.00 -1.98 2.28 -0.08 -1.26 -4.96 116.55 105.95 1q48 n ASP 49 Ca -0.06 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.21 1q48 n ASP 49 Cb 0.23 0.00 0.35 0.00 2.34 0.00 0.00 41.12 44.04 1q48 n ASP 49 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1q48 n ASN 50 N 0.00 5.23 -0.02 1.67 3.02 -1.26 -4.85 115.26 119.04 1q48 n ASN 50 Ca 0.00 -3.12 -0.00 0.00 -0.03 0.00 0.00 54.58 51.43 1q48 n ASN 50 Cb 0.00 -0.73 -0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1q48 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q48 n GLY 51 N 0.15 0.45 3.69 7.41 0.00 -1.26 -5.02 105.19 110.61 1q48 n GLY 51 Ca 0.36 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1q48 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q48 s ILE 52 N -2.00 4.63 -0.81 -0.61 -1.09 -1.26 -3.61 121.20 116.45 1q48 s ILE 52 Ca 0.00 -0.11 -0.26 0.00 -2.23 0.00 0.00 60.65 58.05 1q48 s ILE 52 Cb 0.00 -3.01 0.04 0.00 -1.58 0.00 0.00 42.46 37.91 1q48 s ILE 52 CO 0.00 0.56 1.31 -0.63 -1.23 0.00 0.00 174.94 174.96 1q48 s ILE 53 N -0.50 3.80 0.25 2.92 1.01 -0.78 -1.43 121.20 126.47 1q48 s ILE 53 Ca 0.10 0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 1q48 s ILE 53 Cb -0.12 -4.95 0.23 0.00 0.01 0.00 0.00 42.46 37.63 1q48 s ILE 53 CO 0.02 -1.87 1.72 -0.08 0.00 0.00 0.00 174.94 174.73 1q48 h GLU 54 N 9.94 0.40 -1.96 2.79 4.81 -1.80 0.32 114.58 129.09 1q48 h GLU 54 Ca -0.15 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.18 1q48 h GLU 54 Cb 1.04 -0.09 -0.18 0.00 0.63 0.00 0.00 28.75 30.15 1q48 h GLU 54 CO 1.32 0.27 0.55 0.16 -0.73 0.00 0.00 179.01 180.58 1q48 s ASP 55 N -5.31 -0.34 0.33 1.04 1.47 -1.26 -4.56 116.67 108.05 1q48 s ASP 55 Ca -0.12 0.12 0.06 0.00 1.18 0.00 0.00 52.55 53.78 1q48 s ASP 55 Cb 0.21 0.33 -0.02 0.00 -0.34 0.00 0.00 42.92 43.10 1q48 s ASP 55 CO 0.76 -0.49 0.31 0.00 0.68 0.00 0.00 175.17 176.44 1q48 s ALA 56 N -2.44 1.70 0.25 2.11 0.00 -1.26 -1.06 121.76 121.06 1q48 s ALA 56 Ca 0.04 -1.99 -0.12 0.00 0.00 0.00 0.00 51.96 49.88 1q48 s ALA 56 Cb -0.01 1.43 -0.00 0.00 0.00 0.00 0.00 23.12 24.54 1q48 s ALA 56 CO -0.05 -0.69 0.47 0.21 0.00 0.00 0.00 175.76 175.70 1q48 s LYS 57 N -3.36 1.57 0.20 0.00 2.20 -0.75 -4.99 119.74 114.62 1q48 s LYS 57 Ca 0.39 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1q48 s LYS 57 Cb 0.02 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.76 1q48 s LYS 57 CO 0.27 -0.65 0.08 -0.59 -0.36 0.00 0.00 175.35 174.09 1q48 s PHE 58 N -3.92 1.22 -0.38 4.03 -0.71 -1.26 -2.21 117.98 114.74 1q48 s PHE 58 Ca 0.23 -1.22 -0.02 0.00 -1.04 0.00 0.00 56.93 54.89 1q48 s PHE 58 Cb -0.00 -0.67 0.19 0.00 -1.21 0.00 0.00 43.02 41.33 1q48 s PHE 58 CO 0.10 -0.44 0.92 0.15 -1.34 0.00 0.00 175.22 174.61 1q48 s LYS 59 N -4.05 0.48 -0.07 1.99 1.02 -0.37 -4.94 119.74 113.80 1q48 s LYS 59 Ca 0.32 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 56.04 1q48 s LYS 59 Cb 0.07 0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.39 1q48 s LYS 59 CO 0.09 -0.65 -0.24 0.95 -0.92 0.00 0.00 175.35 174.58 1q48 s THR 60 N 1.47 2.04 -0.25 2.17 -4.23 -1.26 -1.48 115.64 114.10 1q48 s THR 60 Ca 0.20 -1.04 -0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1q48 s THR 60 Cb 0.04 -1.74 0.12 0.00 1.34 0.00 0.00 72.50 72.26 1q48 s THR 60 CO -0.10 0.56 0.28 -0.47 -0.54 0.00 0.00 174.62 174.35 1q48 s TYR 61 N 0.01 -0.46 0.00 3.99 5.04 -1.24 -4.95 117.35 119.74 1q48 s TYR 61 Ca -0.09 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1q48 s TYR 61 Cb -0.15 -0.33 0.00 0.00 0.35 0.00 0.00 41.96 41.83 1q48 s TYR 61 CO 0.05 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 173.91 1q48 n GLY 62 N 5.32 -0.18 2.93 8.97 0.00 -1.26 -4.51 105.19 116.46 1q48 n GLY 62 Ca -0.04 0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 4.86 2.90 2.01 0.00 0.00 -1.26 -3.56 105.19 110.14 1q48 n GLY 64 Ca -0.14 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 6.25 -0.19 0.26 1.61 7.64 -1.26 -4.86 113.62 123.08 1q48 n SER 65 Ca 0.48 0.07 0.11 0.00 1.01 0.00 0.00 58.87 60.54 1q48 n SER 65 Cb 0.31 0.38 0.73 0.00 -1.01 0.00 0.00 64.21 64.62 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 1.49 -0.68 -0.43 0.00 -1.97 -2.89 119.26 114.77 1q48 h ALA 66 Ca 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1q48 h ALA 66 Cb 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.65 1q48 h ALA 66 CO 0.00 0.12 -0.32 0.82 0.00 0.00 0.00 179.25 179.86 1q48 h ILE 67 N 0.00 0.15 -0.94 0.00 2.04 -1.89 1.30 117.51 118.16 1q48 h ILE 67 Ca -0.00 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.03 1q48 h ILE 67 Cb 0.22 0.15 -0.10 0.00 -0.74 0.00 0.00 36.82 36.35 1q48 h ILE 67 CO 0.01 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.70 1q48 h ALA 68 N 1.17 1.51 -0.17 1.87 0.00 -1.89 0.61 119.26 122.37 1q48 h ALA 68 Ca 0.27 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 55.05 1q48 h ALA 68 Cb 0.56 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1q48 h ALA 68 CO -0.75 -0.07 -0.73 1.03 0.00 0.00 0.00 179.25 178.73 1q48 h SER 69 N 0.70 0.93 0.44 0.00 0.87 0.62 -2.57 113.55 114.53 1q48 h SER 69 Ca 0.53 -0.62 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1q48 h SER 69 Cb 0.81 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1q48 h SER 69 CO -0.38 1.39 -0.13 -1.28 -0.53 0.00 0.00 176.83 175.90 1q48 h SER 70 N 0.52 0.00 0.01 6.23 0.87 0.36 -1.49 113.55 120.04 1q48 h SER 70 Ca -0.04 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 1q48 h SER 70 Cb 1.36 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1q48 h SER 70 CO 0.15 0.13 -0.41 -1.28 -0.53 0.00 0.00 176.83 174.90 1q48 h SER 71 N 0.00 0.35 0.71 6.23 0.87 0.31 -2.39 113.55 119.62 1q48 h SER 71 Ca -0.00 -0.78 -0.03 0.00 -1.23 0.00 0.00 61.79 59.74 1q48 h SER 71 Cb 0.38 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1q48 h SER 71 CO 0.02 1.09 -0.34 0.25 -0.53 0.00 0.00 176.83 177.32 1q48 h LEU 72 N -0.35 -0.80 -0.82 2.23 5.85 -1.18 -2.50 115.31 117.73 1q48 h LEU 72 Ca -0.05 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.86 1q48 h LEU 72 Cb 1.15 0.21 -0.11 0.00 0.37 0.00 0.00 40.66 42.28 1q48 h LEU 72 CO 0.08 -0.44 0.31 -0.29 -0.34 0.00 0.00 178.44 177.76 1q48 h ILE 73 N -1.20 0.53 -0.84 4.05 2.10 -1.42 0.26 117.51 120.99 1q48 h ILE 73 Ca -0.10 -0.13 0.10 0.00 1.08 0.00 0.00 64.86 65.81 1q48 h ILE 73 Cb 0.74 0.12 -0.08 0.00 -1.09 0.00 0.00 36.82 36.52 1q48 h ILE 73 CO 0.16 0.07 0.48 0.71 -1.08 0.00 0.00 178.15 178.49 1q48 h THR 74 N 0.38 0.89 0.00 2.19 1.35 -1.31 0.28 112.91 116.69 1q48 h THR 74 Ca 0.48 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 1q48 h THR 74 Cb 0.85 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1q48 h THR 74 CO -0.49 0.14 0.00 -0.33 -0.25 0.00 0.00 175.52 174.59 1q48 h GLU 75 N 0.79 0.00 0.00 4.72 4.39 -0.09 -2.93 114.58 121.46 1q48 h GLU 75 Ca 0.41 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.05 1q48 h GLU 75 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1q48 h GLU 75 CO -0.26 0.00 -1.07 -1.49 -1.16 0.00 0.00 179.01 175.03 1q48 h TRP 76 N 0.00 0.00 -1.92 4.33 4.06 0.77 -3.36 115.95 119.83 1q48 h TRP 76 Ca 0.00 0.00 -0.71 0.00 2.06 0.00 0.00 58.89 60.24 1q48 h TRP 76 Cb 0.65 0.00 -0.33 0.00 -1.00 0.00 0.00 29.16 28.49 1q48 h TRP 76 CO 0.00 0.19 0.40 1.33 -3.56 0.00 0.00 178.44 176.80 1q48 n VAL 77 N -2.78 3.54 -3.35 1.49 0.24 0.52 -4.57 118.33 113.43 1q48 n VAL 77 Ca -0.03 -4.82 -0.25 0.00 -2.04 0.00 0.00 64.34 57.20 1q48 n VAL 77 Cb 0.64 -1.30 -0.09 0.00 -1.47 0.00 0.00 33.84 31.62 1q48 n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1q48 s LYS 78 N -3.91 0.83 0.00 7.34 2.20 -1.24 -4.31 119.74 120.65 1q48 s LYS 78 Ca 0.49 -1.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.29 1q48 s LYS 78 Cb 0.38 -1.24 0.00 0.00 -1.51 0.00 0.00 37.83 35.46 1q48 s LYS 78 CO -0.29 -1.34 0.00 0.41 -0.36 0.00 0.00 175.35 173.77 1q48 n GLY 79 N 3.15 0.83 0.00 5.54 0.00 0.10 -4.98 105.19 109.83 1q48 n GLY 79 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1q48 n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q48 n LYS 80 N -1.43 1.62 -4.08 1.61 4.76 -1.26 -4.65 118.16 114.74 1q48 n LYS 80 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 1q48 n LYS 80 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 1q48 n LYS 80 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1q48 s SER 81 N -0.94 5.89 0.61 4.39 0.01 -1.26 -1.87 113.70 120.53 1q48 s SER 81 Ca 0.00 0.32 0.33 0.00 1.31 0.00 0.00 55.95 57.91 1q48 s SER 81 Cb 0.00 -1.83 1.93 0.00 0.21 0.00 0.00 66.02 66.33 1q48 s SER 81 CO 0.00 0.38 2.23 -0.07 0.41 0.00 0.00 173.24 176.19 1q48 h LEU 82 N 5.18 0.00 -0.24 2.44 3.38 -1.96 0.32 115.31 124.43 1q48 h LEU 82 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1q48 h LEU 82 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1q48 h LEU 82 CO 0.58 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.49 1q48 n GLU 83 N -3.59 0.20 -0.07 1.13 1.02 -1.26 -0.39 120.64 117.68 1q48 n GLU 83 Ca -0.02 0.27 -0.14 0.00 -0.02 0.00 0.00 57.16 57.24 1q48 n GLU 83 Cb 0.16 -1.78 -0.14 0.00 -0.02 0.00 0.00 31.44 29.66 1q48 n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1q48 n GLU 84 N -2.13 0.68 -0.11 3.49 1.02 0.11 -4.23 120.64 119.47 1q48 n GLU 84 Ca 0.04 0.17 0.12 0.00 -0.02 0.00 0.00 57.16 57.47 1q48 n GLU 84 Cb 0.34 -1.63 0.16 0.00 -0.02 0.00 0.00 31.44 30.29 1q48 n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q48 n ALA 85 N -2.90 2.44 -1.28 0.62 0.00 -0.98 -4.17 120.51 114.22 1q48 n ALA 85 Ca -0.33 -0.86 0.01 0.00 0.00 0.00 0.00 53.44 52.27 1q48 n ALA 85 Cb 1.06 -0.83 0.21 0.00 0.00 0.00 0.00 19.45 19.90 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 1.41 4.64 0.43 0.00 0.00 0.47 -4.52 105.19 107.63 1q48 n GLY 86 Ca 0.17 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.96 1.87 1.36 4.61 0.00 -1.26 -4.90 120.51 121.23 1q48 n ALA 87 Ca 0.28 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1q48 n ALA 87 Cb 0.95 -0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.84 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 0.00 0.13 -1.33 0.00 -5.35 -1.26 -5.04 119.36 106.52 1q48 n ILE 88 Ca 0.00 -0.29 0.16 0.00 -0.27 0.00 0.00 62.75 62.35 1q48 n ILE 88 Cb 0.50 0.35 -0.06 0.00 -1.74 0.00 0.00 39.64 38.69 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 0.19 -2.75 0.05 6.28 5.02 -1.26 -3.42 118.16 122.27 1q48 n LYS 89 Ca 0.17 2.11 0.12 0.00 -2.02 0.00 0.00 58.31 58.69 1q48 n LYS 89 Cb 0.32 -3.34 0.29 0.00 -0.02 0.00 0.00 35.03 32.28 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 -4.28 0.58 0.22 4.39 6.94 -1.26 -3.53 115.26 118.33 1q48 n ASN 90 Ca -0.05 0.18 0.12 0.00 -0.02 0.00 0.00 54.58 54.81 1q48 n ASN 90 Cb 0.64 -0.09 0.34 0.00 -2.36 0.00 0.00 39.78 38.32 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 0.00 0.16 0.53 4.64 -1.92 -2.58 113.55 114.38 1q48 h SER 91 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1q48 h SER 91 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1q48 h SER 91 CO 0.00 0.12 -0.08 -0.61 -0.87 0.00 0.00 176.83 175.39 1q48 h GLN 92 N 0.00 -0.21 -0.81 4.77 5.75 -1.60 -2.21 115.11 120.80 1q48 h GLN 92 Ca -0.00 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1q48 h GLN 92 Cb 0.88 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 1q48 h GLN 92 CO 0.02 0.16 0.54 0.82 -2.65 0.00 0.00 178.83 177.71 1q48 h ILE 93 N -0.95 1.19 -0.90 2.39 2.04 -1.72 -1.31 117.51 118.24 1q48 h ILE 93 Ca -0.02 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1q48 h ILE 93 Cb 0.46 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1q48 h ILE 93 CO 0.04 0.20 0.60 0.00 0.00 0.00 0.00 178.15 178.98 1q48 h ALA 94 N 1.31 1.38 -0.24 1.87 0.00 -1.54 -2.28 119.26 119.76 1q48 h ALA 94 Ca 0.30 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1q48 h ALA 94 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1q48 h ALA 94 CO -0.08 0.57 0.03 1.49 0.00 0.00 0.00 179.25 181.26 1q48 h GLU 95 N 1.20 0.39 -0.02 0.00 4.81 -0.62 0.78 114.58 121.12 1q48 h GLU 95 Ca 0.34 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1q48 h GLU 95 Cb -0.10 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1q48 h GLU 95 CO -0.08 0.54 -0.41 0.93 -0.73 0.00 0.00 179.01 179.26 1q48 h GLU 96 N 0.19 -0.48 0.00 1.92 5.08 -0.71 0.14 114.58 120.72 1q48 h GLU 96 Ca 0.07 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1q48 h GLU 96 Cb 0.34 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1q48 h GLU 96 CO 0.01 -0.32 0.00 -0.07 -1.00 0.00 0.00 179.01 177.62 1q48 h LEU 97 N -0.50 0.00 1.58 1.33 3.38 -1.49 -3.46 115.31 116.15 1q48 h LEU 97 Ca 0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 1q48 h LEU 97 Cb 0.54 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 1q48 h LEU 97 CO -0.28 0.00 -0.28 1.21 0.09 0.00 0.00 178.44 179.17 1q48 n GLU 98 N -2.56 -1.60 -1.64 1.13 2.13 0.27 -4.86 120.64 113.51 1q48 n GLU 98 Ca 0.03 0.75 -0.39 0.00 0.66 0.00 0.00 57.16 58.20 1q48 n GLU 98 Cb 0.32 -5.12 0.04 0.00 0.27 0.00 0.00 31.44 26.95 1q48 n GLU 98 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1q48 n LEU 99 N -2.22 3.67 -4.34 4.31 -0.00 -1.20 -4.85 117.00 112.36 1q48 n LEU 99 Ca -0.14 0.92 -0.42 0.00 -0.00 0.00 0.00 56.01 56.37 1q48 n LEU 99 Cb 0.51 -1.42 0.00 0.00 -0.00 0.00 0.00 43.42 42.51 1q48 n LEU 99 CO 0.20 -1.46 -0.29 -2.65 -0.00 0.00 0.00 177.39 173.18 1q48 n PRO 100 N -0.58 0.17 0.15 1.47 -0.02 -1.26 -4.88 135.00 130.05 1q48 n PRO 100 Ca 0.11 0.06 0.02 0.00 -2.02 0.00 0.00 63.50 61.67 1q48 n PRO 100 Cb 0.44 -1.16 0.20 0.00 -0.02 0.00 0.00 33.50 32.96 1q48 n PRO 100 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1q48 h PRO 101 N 0.42 0.00 -1.17 0.52 0.13 -2.00 -3.23 132.00 126.68 1q48 h PRO 101 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1q48 h PRO 101 Cb 1.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1q48 h PRO 101 CO 0.48 0.53 0.00 0.28 -0.23 0.00 0.00 178.00 179.06 1q48 n VAL 102 N -3.56 0.36 -2.43 1.56 0.31 -1.26 -2.66 118.33 110.64 1q48 n VAL 102 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.30 1q48 n VAL 102 Cb 0.61 -0.60 0.06 0.00 -0.91 0.00 0.00 33.84 33.00 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 0.58 0.75 0.00 5.55 4.81 -1.22 -4.94 118.16 123.69 1q48 n LYS 103 Ca 0.00 -0.86 0.08 0.00 -0.87 0.00 0.00 58.31 56.66 1q48 n LYS 103 Cb 0.22 0.37 0.45 0.00 0.02 0.00 0.00 35.03 36.08 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 -0.86 0.00 0.21 3.15 0.31 -1.09 -3.13 118.33 116.92 1q48 n VAL 104 Ca -0.15 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.29 1q48 n VAL 104 Cb 0.73 -0.63 0.69 0.00 -0.91 0.00 0.00 33.84 33.72 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 -0.44 3.52 3.86 -1.92 -0.85 115.15 119.32 1q48 h HIS 105 Ca 0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 1q48 h HIS 105 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1q48 h HIS 105 CO 0.00 0.00 -0.12 0.00 0.86 0.00 0.00 177.93 178.67 1q48 h SER 107 N 0.70 0.78 -0.31 0.00 0.02 -1.44 -1.29 113.55 112.01 1q48 h SER 107 Ca 0.11 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1q48 h SER 107 Cb 0.67 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1q48 h SER 107 CO 0.05 0.93 0.14 0.40 -1.14 0.00 0.00 176.83 177.21 1q48 h ILE 108 N 0.62 1.16 0.00 3.27 2.04 -1.19 -1.47 117.51 121.95 1q48 h ILE 108 Ca 0.12 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1q48 h ILE 108 Cb 0.55 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1q48 h ILE 108 CO 0.03 0.17 -0.08 -0.07 0.00 0.00 0.00 178.15 178.19 1q48 h LEU 109 N 0.36 0.00 0.00 1.44 4.07 -0.91 -1.07 115.31 119.19 1q48 h LEU 109 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1q48 h LEU 109 Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1q48 h LEU 109 CO -0.01 0.08 0.00 0.00 -1.08 0.00 0.00 178.44 177.43 1q48 n ALA 110 N -2.31 -0.12 -0.22 1.53 0.00 -0.50 -2.03 120.51 116.87 1q48 n ALA 110 Ca -0.02 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.69 1q48 n ALA 110 Cb 0.19 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.31 1q48 n ALA 110 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1q48 h GLU 111 N 0.00 0.11 -0.47 0.00 4.57 -1.41 0.40 114.58 117.78 1q48 h GLU 111 Ca 0.00 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1q48 h GLU 111 Cb 0.00 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1q48 h GLU 111 CO 0.00 0.07 -0.16 0.22 -1.18 0.00 0.00 179.01 177.96 1q48 h ASP 112 N 0.11 0.92 0.46 1.04 1.82 -1.27 -2.52 116.42 116.98 1q48 h ASP 112 Ca 0.46 -0.32 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 1q48 h ASP 112 Cb 1.65 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.41 1q48 h ASP 112 CO -0.06 1.07 -0.22 0.00 -1.61 0.00 0.00 179.24 178.41 1q48 h ALA 113 N 1.01 -0.62 -1.11 -0.78 0.00 0.38 -0.16 119.26 117.98 1q48 h ALA 113 Ca 0.12 -0.16 0.36 0.00 0.00 0.00 0.00 54.91 55.22 1q48 h ALA 113 Cb 0.70 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 1q48 h ALA 113 CO 0.05 -0.60 0.68 0.97 0.00 0.00 0.00 179.25 180.35 1q48 h ILE 114 N -1.11 0.26 0.10 0.00 -0.00 -1.36 0.01 117.51 115.40 1q48 h ILE 114 Ca -0.06 -0.08 -0.00 0.00 -0.00 0.00 0.00 64.86 64.71 1q48 h ILE 114 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 37.35 1q48 h ILE 114 CO 0.10 0.04 -0.05 0.50 -0.00 0.00 0.00 178.15 178.75 1q48 h LYS 115 N 0.23 -0.12 -0.86 2.19 1.63 -1.38 -2.79 116.57 115.47 1q48 h LYS 115 Ca 0.75 0.01 0.35 0.00 -0.85 0.00 0.00 60.65 60.91 1q48 h LYS 115 Cb 1.98 0.03 -0.15 0.00 -0.60 0.00 0.00 32.23 33.50 1q48 h LYS 115 CO -0.51 -0.08 0.48 0.00 -3.45 0.00 0.00 179.45 175.89 1q48 n ALA 116 N -2.29 0.89 0.33 5.00 0.00 -0.08 0.75 120.51 125.11 1q48 n ALA 116 Ca -0.02 0.83 -0.16 0.00 0.00 0.00 0.00 53.44 54.10 1q48 n ALA 116 Cb 0.05 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 1q48 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q48 h ALA 117 N 1.63 -0.85 -0.90 0.00 0.00 -1.06 -2.75 119.26 115.33 1q48 h ALA 117 Ca 0.71 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.60 1q48 h ALA 117 Cb 1.92 0.33 -0.17 0.00 0.00 0.00 0.00 17.79 19.87 1q48 h ALA 117 CO -0.61 -0.87 -0.17 -0.89 0.00 0.00 0.00 179.25 176.70 1q48 n ILE 118 N -5.38 -0.38 0.32 0.00 5.41 0.23 -0.21 119.36 119.34 1q48 n ILE 118 Ca -0.12 2.05 -0.17 0.00 1.00 0.00 0.00 62.75 65.51 1q48 n ILE 118 Cb 0.36 -2.86 -0.09 0.00 -0.71 0.00 0.00 39.64 36.34 1q48 n ILE 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1q48 h ALA 119 N 1.80 -1.17 -0.73 -1.39 0.00 -1.32 -1.84 119.26 114.60 1q48 h ALA 119 Ca 0.46 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1q48 h ALA 119 Cb 0.76 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 1q48 h ALA 119 CO -0.91 -1.17 -0.43 -0.25 0.00 0.00 0.00 179.25 176.49 1q48 n ASP 120 N -5.21 -0.78 -0.14 0.00 8.00 0.71 -0.42 116.55 118.71 1q48 n ASP 120 Ca -0.12 1.51 -0.11 0.00 0.71 0.00 0.00 54.79 56.79 1q48 n ASP 120 Cb 0.43 -0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 1q48 n ASP 120 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1q48 h TYR 121 N 0.00 -1.35 -1.16 1.24 3.20 -1.23 0.73 116.97 118.39 1q48 h TYR 121 Ca 0.12 0.07 0.34 0.00 3.14 0.00 0.00 58.73 62.40 1q48 h TYR 121 Cb 0.30 0.65 -0.05 0.00 1.54 0.00 0.00 36.73 39.18 1q48 h TYR 121 CO -0.95 -0.45 0.89 0.87 -1.64 0.00 0.00 178.16 176.88 1q48 h LYS 122 N -0.33 0.00 -0.95 1.82 1.57 0.13 -0.64 116.57 118.18 1q48 h LYS 122 Ca 0.13 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.14 1q48 h LYS 122 Cb 0.58 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.72 1q48 h LYS 122 CO -0.60 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 178.22 1q48 h ALA 123 N 1.31 0.95 -0.40 3.86 0.00 0.17 2.84 119.26 127.99 1q48 h ALA 123 Ca 0.55 0.34 -0.11 0.00 0.00 0.00 0.00 54.91 55.69 1q48 h ALA 123 Cb 2.33 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 20.67 1q48 h ALA 123 CO -0.01 -0.49 0.14 1.63 0.00 0.00 0.00 179.25 180.52 1q48 n LYS 124 N -5.51 2.58 -2.31 0.00 4.01 -0.25 -4.05 118.16 112.63 1q48 n LYS 124 Ca 0.19 -1.69 -0.01 0.00 -0.51 0.00 0.00 58.31 56.29 1q48 n LYS 124 Cb 0.63 -1.81 0.09 0.00 -0.51 0.00 0.00 35.03 33.43 1q48 n LYS 124 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1q48 n GLN 125 N 0.06 0.95 0.00 1.97 -0.06 0.91 -4.87 117.38 116.34 1q48 n GLN 125 Ca 0.22 -0.85 0.00 0.00 -2.00 0.00 0.00 57.00 54.37 1q48 n GLN 125 Cb 0.91 0.30 0.00 0.00 -4.06 0.00 0.00 30.24 27.39 1q48 n GLN 125 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1q48 n GLY 126 N -1.09 2.00 0.01 1.69 0.00 0.14 -4.83 105.19 103.12 1q48 n GLY 126 Ca -0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 0.82 0.00 0.99 4.77 -1.26 -4.56 117.00 117.76 1q48 n LEU 127 Ca 0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1q48 n LEU 127 Cb 0.00 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1q48 n LEU 127 CO 0.00 0.20 0.36 -0.62 -1.33 0.00 0.00 177.39 176.00 1q48 n GLU 128 N -2.23 0.00 0.00 3.23 4.71 -1.26 -3.57 120.64 121.51 1q48 n GLU 128 Ca -0.05 0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 1q48 n GLU 128 Cb 0.58 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.28 1q48 n GLU 128 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1q48 n HIS 129 N -1.00 0.00 -3.13 -0.32 -0.00 -1.26 -5.05 115.22 104.46 1q48 n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1q48 n HIS 129 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 1q48 n HIS 129 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1q48 n HIS 130 N 0.00 0.00 -3.15 1.57 -0.00 -1.23 -5.13 115.22 107.28 1q48 n HIS 130 Ca 0.00 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.23 1q48 n HIS 130 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 1q48 n HIS 130 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1q48 s HIS 131 N -3.00 -0.01 0.00 1.57 -3.43 -1.26 -4.92 115.29 104.24 1q48 s HIS 131 Ca 0.00 0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.27 1q48 s HIS 131 Cb 0.00 0.01 0.00 0.00 -1.43 0.00 0.00 32.58 31.16 1q48 s HIS 131 CO 0.00 -0.01 0.00 1.58 -2.00 0.00 0.00 174.74 174.31 1q48 n HIS 132 N 4.94 0.00 0.54 0.38 -0.00 -1.26 -4.92 115.22 114.90 1q48 n HIS 132 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 1q48 n HIS 132 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 1q48 n HIS 132 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1q48 n HIS 133 N 0.00 0.00 0.00 1.57 8.25 -1.26 -5.39 115.22 118.39 1q48 n HIS 133 Ca 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1q48 n HIS 133 Cb 0.00 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1q48 n HIS 133 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59