#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 -3.22 3.04 0.00 -1.26 -4.95 120.51 114.12 1q48 n ALA 2 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1q48 n ALA 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1q48 n ALA 2 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1q48 n TYR 3 N 0.00 -2.62 -2.13 0.00 9.36 -1.26 -4.69 117.16 115.82 1q48 n TYR 3 Ca 0.00 1.09 -0.29 0.00 3.32 0.00 0.00 57.90 62.02 1q48 n TYR 3 Cb 0.00 -2.46 -0.05 0.00 -0.63 0.00 0.00 39.34 36.20 1q48 n TYR 3 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1q48 s SER 4 N -1.71 5.35 0.28 2.98 0.01 -1.26 -4.88 113.70 114.46 1q48 s SER 4 Ca 0.26 -0.99 0.03 0.00 1.31 0.00 0.00 55.95 56.56 1q48 s SER 4 Cb -0.04 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1q48 s SER 4 CO 0.71 -2.59 0.19 -0.70 0.41 0.00 0.00 173.24 171.26 1q48 s GLU 5 N 6.57 1.51 -0.61 12.44 2.12 -1.26 -5.09 118.70 134.38 1q48 s GLU 5 Ca 0.66 -1.85 0.06 0.00 0.36 0.00 0.00 54.97 54.20 1q48 s GLU 5 Cb -0.04 0.18 0.28 0.00 0.26 0.00 0.00 34.13 34.80 1q48 s GLU 5 CO 0.01 -0.50 0.79 1.17 -0.54 0.00 0.00 175.26 176.19 1q48 n LYS 6 N -0.48 2.63 -0.00 4.30 4.81 -1.26 -4.82 118.16 123.33 1q48 n LYS 6 Ca 0.04 -4.65 0.14 0.00 -0.87 0.00 0.00 58.31 52.97 1q48 n LYS 6 Cb 0.64 -2.20 0.62 0.00 0.02 0.00 0.00 35.03 34.12 1q48 n LYS 6 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1q48 n VAL 7 N 0.56 0.01 1.59 3.15 0.24 -1.26 -3.78 118.33 118.84 1q48 n VAL 7 Ca 0.30 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1q48 n VAL 7 Cb 0.41 0.24 0.02 0.00 -1.47 0.00 0.00 33.84 33.05 1q48 n VAL 7 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1q48 n ILE 8 N -0.12 0.00 0.00 1.34 -5.35 -1.26 -4.04 119.36 109.94 1q48 n ILE 8 Ca 0.20 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.68 1q48 n ILE 8 Cb 0.29 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 1q48 n ILE 8 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1q48 n ASP 9 N -0.51 0.00 0.00 7.28 -0.08 -1.25 -4.94 116.55 117.05 1q48 n ASP 9 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1q48 n ASP 9 Cb 0.00 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1q48 n ASP 9 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1q48 n HIS 10 N -2.29 -0.20 -0.09 -0.67 8.25 -1.26 -3.00 115.22 115.95 1q48 n HIS 10 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1q48 n HIS 10 Cb 0.00 0.06 0.29 0.00 1.12 0.00 0.00 29.99 31.46 1q48 n HIS 10 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1q48 n TYR 11 N 0.00 0.85 -4.51 4.41 4.02 -1.26 -4.86 117.16 115.81 1q48 n TYR 11 Ca 0.00 -0.43 -0.25 0.00 -0.01 0.00 0.00 57.90 57.21 1q48 n TYR 11 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.15 1q48 n TYR 11 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1q48 s GLU 12 N -1.15 1.76 -0.40 -0.72 4.04 -1.16 -5.07 118.70 116.00 1q48 s GLU 12 Ca 0.45 -0.42 0.04 0.00 0.04 0.00 0.00 54.97 55.07 1q48 s GLU 12 Cb 0.23 -1.50 0.18 0.00 0.02 0.00 0.00 34.13 33.07 1q48 s GLU 12 CO 0.31 -0.01 0.74 -0.80 -1.84 0.00 0.00 175.26 173.66 1q48 s ASN 13 N 0.81 -1.24 0.28 0.83 -0.87 -1.26 -4.73 114.94 108.76 1q48 s ASN 13 Ca -0.12 -0.71 0.02 0.00 -1.57 0.00 0.00 52.86 50.48 1q48 s ASN 13 Cb -0.15 1.59 0.63 0.00 -0.02 0.00 0.00 41.25 43.30 1q48 s ASN 13 CO 0.02 -0.13 1.75 -0.65 -2.57 0.00 0.00 177.10 175.52 1q48 h PRO 14 N 6.44 0.59 -6.09 -0.60 0.11 -1.97 -3.42 132.00 127.06 1q48 h PRO 14 Ca 0.03 -0.04 -0.75 0.00 0.11 0.00 0.00 66.00 65.35 1q48 h PRO 14 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1q48 h PRO 14 CO 0.05 0.39 0.98 0.54 -0.21 0.00 0.00 178.00 179.75 1q48 n ARG 15 N -4.88 0.89 -2.57 1.05 3.00 -1.26 -4.81 116.66 108.08 1q48 n ARG 15 Ca 0.20 0.31 -0.41 0.00 -0.01 0.00 0.00 57.85 57.94 1q48 n ARG 15 Cb 0.52 -2.02 -0.03 0.00 0.00 0.00 0.00 32.46 30.93 1q48 n ARG 15 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1q48 s ASN 16 N 4.20 6.48 0.14 0.55 -0.87 -1.26 -4.96 114.94 119.20 1q48 s ASN 16 Ca 1.03 -1.39 -0.33 0.00 -1.57 0.00 0.00 52.86 50.60 1q48 s ASN 16 Cb -1.14 -2.56 -0.13 0.00 -0.02 0.00 0.00 41.25 37.40 1q48 s ASN 16 CO 0.66 -1.52 1.70 1.33 -2.57 0.00 0.00 177.10 176.70 1q48 n VAL 17 N 6.80 0.14 -4.05 1.60 0.24 -1.26 -4.98 118.33 116.81 1q48 n VAL 17 Ca 0.30 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.34 62.35 1q48 n VAL 17 Cb 0.51 -1.79 -0.06 0.00 -1.47 0.00 0.00 33.84 31.03 1q48 n VAL 17 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1q48 s GLY 18 N 1.69 1.83 0.47 7.63 0.00 -1.26 -5.09 107.32 112.58 1q48 s GLY 18 Ca 0.80 -1.73 -0.23 0.00 0.00 0.00 0.00 44.72 43.56 1q48 s GLY 18 CO 0.38 -1.69 1.16 -1.35 0.00 0.00 0.00 173.10 171.60 1q48 s SER 19 N -3.86 6.14 0.00 1.64 1.04 -1.26 -4.85 113.70 112.54 1q48 s SER 19 Ca 0.37 2.29 0.00 0.00 0.48 0.00 0.00 55.95 59.09 1q48 s SER 19 Cb -0.04 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1q48 s SER 19 CO 0.23 -0.94 0.00 -0.11 0.98 0.00 0.00 173.24 173.41 1q48 n LEU 20 N -0.56 0.00 -4.87 2.42 7.94 -1.26 -5.10 117.00 115.58 1q48 n LEU 20 Ca 0.08 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.73 1q48 n LEU 20 Cb 0.48 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.41 1q48 n LEU 20 CO 0.47 0.00 -0.00 -0.62 -1.11 0.00 0.00 177.39 176.13 1q48 s ASP 21 N 0.00 4.67 0.00 1.96 -1.08 -1.26 -4.93 116.67 116.02 1q48 s ASP 21 Ca 0.00 -1.13 0.00 0.00 -0.52 0.00 0.00 52.55 50.90 1q48 s ASP 21 Cb 0.00 0.06 0.00 0.00 -1.46 0.00 0.00 42.92 41.52 1q48 s ASP 21 CO 0.00 -0.91 0.40 1.17 0.52 0.00 0.00 175.17 176.35 1q48 n LYS 22 N -1.62 0.00 0.00 4.34 4.81 -1.26 -2.20 118.16 122.24 1q48 n LYS 22 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1q48 n LYS 22 Cb 0.64 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.23 1q48 n LYS 22 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1q48 n LYS 23 N -0.89 0.60 -4.01 1.64 4.81 -1.26 -4.60 118.16 114.44 1q48 n LYS 23 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 1q48 n LYS 23 Cb 0.00 -1.03 -0.15 0.00 0.02 0.00 0.00 35.03 33.87 1q48 n LYS 23 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1q48 s ASP 24 N -1.32 0.48 0.00 3.14 1.11 -0.93 -4.98 116.67 114.16 1q48 s ASP 24 Ca 0.00 -0.05 0.02 0.00 0.18 0.00 0.00 52.55 52.69 1q48 s ASP 24 Cb 0.00 -0.18 0.10 0.00 1.07 0.00 0.00 42.92 43.91 1q48 s ASP 24 CO 0.00 -0.04 0.40 -1.20 1.18 0.00 0.00 175.17 175.51 1q48 n SER 25 N 3.68 0.00 -0.26 0.27 7.64 -1.26 -0.92 113.62 122.76 1q48 n SER 25 Ca -0.21 -0.48 0.03 0.00 1.01 0.00 0.00 58.87 59.22 1q48 n SER 25 Cb 0.54 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.78 1q48 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1q48 n ASN 26 N -0.60 1.81 -3.92 6.43 3.02 -1.26 -4.86 115.26 115.89 1q48 n ASN 26 Ca 0.01 -1.49 -0.30 0.00 -0.03 0.00 0.00 54.58 52.77 1q48 n ASN 26 Cb 0.01 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.00 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q48 s VAL 27 N -0.65 2.26 0.59 2.41 1.01 -0.10 -1.05 120.40 124.87 1q48 s VAL 27 Ca 0.08 -2.92 -0.15 0.00 0.00 0.00 0.00 61.98 58.99 1q48 s VAL 27 Cb 0.05 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1q48 s VAL 27 CO 0.08 -0.77 1.05 -0.83 0.00 0.00 0.00 175.10 174.63 1q48 s GLY 28 N 0.13 2.09 -0.12 4.51 0.00 -0.40 -4.18 107.32 109.36 1q48 s GLY 28 Ca 0.16 0.35 -0.01 0.00 0.00 0.00 0.00 44.72 45.22 1q48 s GLY 28 CO -0.03 0.67 -0.04 -1.59 0.00 0.00 0.00 173.10 172.11 1q48 s THR 29 N -2.51 0.83 -0.48 0.90 2.01 -1.26 -2.22 115.64 112.91 1q48 s THR 29 Ca 0.63 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.40 1q48 s THR 29 Cb -0.15 -0.94 0.12 0.00 0.01 0.00 0.00 72.50 71.54 1q48 s THR 29 CO 0.37 0.26 0.22 -0.83 -0.69 0.00 0.00 174.62 173.96 1q48 s GLY 30 N 1.78 2.30 -0.10 4.40 0.00 -0.15 -4.25 107.32 111.29 1q48 s GLY 30 Ca 0.04 -3.04 -0.17 0.00 0.00 0.00 0.00 44.72 41.55 1q48 s GLY 30 CO -0.07 1.00 0.45 -0.29 0.00 0.00 0.00 173.10 174.19 1q48 s MET 31 N 0.13 4.26 0.32 2.90 1.75 -1.26 -1.81 119.30 125.59 1q48 s MET 31 Ca 0.15 0.41 0.01 0.00 -1.25 0.00 0.00 55.69 55.01 1q48 s MET 31 Cb -0.23 -3.40 -0.01 0.00 2.84 0.00 0.00 34.83 34.03 1q48 s MET 31 CO -0.03 0.26 0.37 0.14 -0.65 0.00 0.00 175.02 175.12 1q48 s VAL 32 N 0.29 0.00 0.00 10.11 -7.23 -0.36 -4.98 120.40 118.23 1q48 s VAL 32 Ca 0.25 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1q48 s VAL 32 Cb -0.15 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1q48 s VAL 32 CO 0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1q48 n GLY 33 N -0.55 -0.79 2.94 2.32 0.00 -1.26 -1.15 105.19 106.70 1q48 n GLY 33 Ca 0.03 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.00 3.78 -0.16 4.61 0.00 0.37 -4.92 121.76 123.43 1q48 s ALA 34 Ca 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 51.96 48.24 1q48 s ALA 34 Cb 0.00 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.88 1q48 s ALA 34 CO 0.00 -2.09 0.63 -2.30 0.00 0.00 0.00 175.76 172.00 1q48 n PRO 35 N 2.26 0.00 0.00 0.00 -0.02 -1.26 -1.31 135.00 134.67 1q48 n PRO 35 Ca 0.17 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1q48 n PRO 35 Cb 0.35 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1q48 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q48 n ALA 36 N -1.12 2.21 0.00 3.55 0.00 -1.26 -4.73 120.51 119.16 1q48 n ALA 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q48 n ALA 36 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1q48 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q48 h GLY 38 N 0.00 0.56 0.00 0.00 0.00 -1.77 -3.47 103.07 98.39 1q48 h GLY 38 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1q48 h GLY 38 CO 0.00 -0.31 0.00 1.34 0.00 0.00 0.00 176.54 177.57 1q48 n ASP 39 N -5.53 0.00 -4.56 0.19 -0.08 -1.23 -4.62 116.55 100.71 1q48 n ASP 39 Ca 0.12 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.11 1q48 n ASP 39 Cb 0.42 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.78 1q48 n ASP 39 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1q48 s VAL 40 N -1.96 3.27 -0.07 5.18 1.01 -1.24 -0.48 120.40 126.11 1q48 s VAL 40 Ca 0.00 -1.35 -0.07 0.00 0.00 0.00 0.00 61.98 60.55 1q48 s VAL 40 Cb 0.00 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1q48 s VAL 40 CO 0.00 0.08 0.20 -0.32 0.00 0.00 0.00 175.10 175.06 1q48 s MET 41 N -2.29 0.27 0.03 2.72 1.75 -0.30 -3.55 119.30 117.94 1q48 s MET 41 Ca 0.21 0.23 0.05 0.00 -1.25 0.00 0.00 55.69 54.93 1q48 s MET 41 Cb -0.11 0.13 -0.02 0.00 2.84 0.00 0.00 34.83 37.67 1q48 s MET 41 CO 0.13 -0.04 -0.15 -1.14 -0.65 0.00 0.00 175.02 173.18 1q48 s GLN 42 N -0.02 0.99 -0.01 4.11 0.74 -0.46 -1.22 119.66 123.79 1q48 s GLN 42 Ca -0.01 -0.75 0.02 0.00 0.05 0.00 0.00 55.36 54.66 1q48 s GLN 42 Cb -0.02 -1.01 -0.00 0.00 1.10 0.00 0.00 33.01 33.08 1q48 s GLN 42 CO 0.00 0.25 -0.05 -1.17 -0.55 0.00 0.00 175.29 173.78 1q48 s LEU 43 N -1.07 1.92 -0.03 3.68 2.96 -0.75 -2.50 118.68 122.89 1q48 s LEU 43 Ca 0.02 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1q48 s LEU 43 Cb -0.08 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.33 1q48 s LEU 43 CO 0.01 0.05 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.40 1q48 s GLN 44 N 0.01 1.12 -0.08 1.98 0.74 0.37 -0.98 119.66 122.82 1q48 s GLN 44 Ca 0.00 -0.38 0.05 0.00 0.05 0.00 0.00 55.36 55.08 1q48 s GLN 44 Cb -0.04 -1.03 -0.01 0.00 1.10 0.00 0.00 33.01 33.04 1q48 s GLN 44 CO -0.00 0.16 -0.24 0.96 -0.55 0.00 0.00 175.29 175.62 1q48 s ILE 45 N 0.10 2.11 -0.20 -2.34 -4.36 -0.94 -2.41 121.20 113.16 1q48 s ILE 45 Ca -0.02 -1.02 -0.02 0.00 -0.26 0.00 0.00 60.65 59.33 1q48 s ILE 45 Cb -0.09 -1.79 0.01 0.00 1.25 0.00 0.00 42.46 41.84 1q48 s ILE 45 CO 0.01 0.56 -0.12 -0.75 0.24 0.00 0.00 174.94 174.88 1q48 s LYS 46 N 0.12 3.20 -0.21 0.37 2.20 -0.86 -1.27 119.74 123.29 1q48 s LYS 46 Ca -0.12 -0.72 -0.13 0.00 -0.36 0.00 0.00 55.97 54.64 1q48 s LYS 46 Cb -0.16 -2.80 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 1q48 s LYS 46 CO 0.07 -0.20 0.25 0.08 -0.36 0.00 0.00 175.35 175.18 1q48 s VAL 47 N 1.39 5.31 0.08 4.02 1.01 -0.21 -1.73 120.40 130.27 1q48 s VAL 47 Ca 0.05 0.40 -0.37 0.00 0.00 0.00 0.00 61.98 62.06 1q48 s VAL 47 Cb -0.14 -3.58 -0.19 0.00 0.00 0.00 0.00 36.38 32.47 1q48 s VAL 47 CO -0.08 0.34 1.56 -0.78 0.00 0.00 0.00 175.10 176.15 1q48 h ASP 48 N 7.18 -1.33 0.00 3.32 1.82 -1.25 -3.45 116.42 122.71 1q48 h ASP 48 Ca -0.39 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1q48 h ASP 48 Cb 1.16 0.41 0.00 0.00 0.68 0.00 0.00 39.33 41.58 1q48 h ASP 48 CO 0.71 -0.73 0.00 -0.67 -1.61 0.00 0.00 179.24 176.94 1q48 n ASP 49 N -5.60 0.00 -0.15 2.28 -0.08 -1.26 -4.95 116.55 106.78 1q48 n ASP 49 Ca -0.14 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.26 1q48 n ASP 49 Cb 0.49 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.18 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 0.93 0.00 1.67 3.02 -1.26 -4.89 115.26 114.73 1q48 n ASN 50 Ca 0.00 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1q48 n ASN 50 Cb 0.00 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 1.43 1.62 3.57 7.41 0.00 -1.26 -5.12 105.19 112.84 1q48 n GLY 51 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 3.31 -1.28 -0.61 -1.09 -1.26 -3.65 121.20 114.61 1q48 s ILE 52 Ca 0.00 -1.36 -0.14 0.00 -2.23 0.00 0.00 60.65 56.92 1q48 s ILE 52 Cb 0.00 -2.57 0.13 0.00 -1.58 0.00 0.00 42.46 38.44 1q48 s ILE 52 CO 0.00 0.06 1.70 -0.38 -1.23 0.00 0.00 174.94 175.09 1q48 n ILE 53 N 0.56 4.09 -0.26 2.92 5.41 -0.12 -0.73 119.36 131.23 1q48 n ILE 53 Ca -0.13 -4.29 0.08 0.00 1.00 0.00 0.00 62.75 59.41 1q48 n ILE 53 Cb 0.53 -2.43 0.17 0.00 -0.71 0.00 0.00 39.64 37.20 1q48 n ILE 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1q48 n GLU 54 N 6.17 -0.06 -3.90 0.38 2.13 -0.71 -1.48 120.64 123.17 1q48 n GLU 54 Ca 0.43 1.12 -0.09 0.00 0.66 0.00 0.00 57.16 59.27 1q48 n GLU 54 Cb 0.42 -1.73 -0.05 0.00 0.27 0.00 0.00 31.44 30.36 1q48 n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1q48 s ASP 55 N -5.09 -0.14 -0.07 4.31 1.01 -1.23 -4.08 116.67 111.39 1q48 s ASP 55 Ca -0.10 -0.76 -0.03 0.00 0.71 0.00 0.00 52.55 52.37 1q48 s ASP 55 Cb 0.21 0.57 0.04 0.00 1.01 0.00 0.00 42.92 44.75 1q48 s ASP 55 CO 0.57 -1.10 0.14 0.00 0.21 0.00 0.00 175.17 175.00 1q48 s ALA 56 N -3.96 -0.14 -0.06 5.23 0.00 -1.26 -2.02 121.76 119.55 1q48 s ALA 56 Ca 0.17 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.64 1q48 s ALA 56 Cb -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1q48 s ALA 56 CO 0.04 -0.43 0.07 0.21 0.00 0.00 0.00 175.76 175.65 1q48 s LYS 57 N 1.95 3.15 0.31 0.00 2.20 -1.01 -4.97 119.74 121.36 1q48 s LYS 57 Ca -0.00 -0.36 0.04 0.00 -0.36 0.00 0.00 55.97 55.29 1q48 s LYS 57 Cb -0.12 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.24 1q48 s LYS 57 CO -0.05 0.70 0.20 -0.59 -0.36 0.00 0.00 175.35 175.25 1q48 s PHE 58 N -1.04 1.62 -0.28 4.03 -0.71 -1.26 -0.48 117.98 119.85 1q48 s PHE 58 Ca 0.18 -1.47 -0.19 0.00 -1.04 0.00 0.00 56.93 54.40 1q48 s PHE 58 Cb -0.12 -0.80 0.12 0.00 -1.21 0.00 0.00 43.02 41.01 1q48 s PHE 58 CO 0.07 -0.65 0.88 0.21 -1.34 0.00 0.00 175.22 174.40 1q48 s LYS 59 N -3.71 0.54 -0.01 1.99 2.47 -1.04 -4.99 119.74 114.98 1q48 s LYS 59 Ca 0.37 0.84 -0.03 0.00 -1.56 0.00 0.00 55.97 55.59 1q48 s LYS 59 Cb 0.04 0.16 0.00 0.00 -1.46 0.00 0.00 37.83 36.57 1q48 s LYS 59 CO 0.20 -0.10 0.06 -0.08 0.16 0.00 0.00 175.35 175.60 1q48 s THR 60 N 1.11 0.04 -0.30 3.43 -1.32 -1.26 -1.35 115.64 115.99 1q48 s THR 60 Ca -0.06 -0.30 -0.11 0.00 -1.21 0.00 0.00 61.69 60.01 1q48 s THR 60 Cb -0.04 -0.20 0.12 0.00 -1.51 0.00 0.00 72.50 70.87 1q48 s THR 60 CO -0.13 -0.16 0.65 -0.72 -2.21 0.00 0.00 174.62 172.05 1q48 s TYR 61 N -0.50 -1.32 0.00 9.09 -0.85 -1.23 -5.02 117.35 117.53 1q48 s TYR 61 Ca -0.06 2.32 0.00 0.00 -0.52 0.00 0.00 57.07 58.81 1q48 s TYR 61 Cb -0.04 0.79 0.00 0.00 0.38 0.00 0.00 41.96 43.09 1q48 s TYR 61 CO 0.00 -0.65 0.00 0.41 -1.52 0.00 0.00 175.55 173.79 1q48 n GLY 62 N 5.32 0.03 3.29 5.49 0.00 -1.26 -3.73 105.19 114.32 1q48 n GLY 62 Ca -0.13 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 2.37 -1.23 0.74 0.00 0.00 -1.26 -2.58 105.19 103.23 1q48 n GLY 64 Ca -0.16 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.35 2.30 -1.05 1.61 3.41 -1.26 -3.86 113.62 113.43 1q48 n SER 65 Ca 0.11 -1.77 0.12 0.00 -0.26 0.00 0.00 58.87 57.07 1q48 n SER 65 Cb 0.24 -0.02 0.18 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.79 2.44 0.68 7.33 0.00 -1.07 -4.08 120.51 126.61 1q48 n ALA 66 Ca 0.17 -0.84 0.13 0.00 0.00 0.00 0.00 53.44 52.89 1q48 n ALA 66 Cb 0.48 -0.86 0.35 0.00 0.00 0.00 0.00 19.45 19.42 1q48 n ALA 66 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1q48 n ILE 67 N 1.38 0.41 0.20 0.00 2.08 -1.25 -3.15 119.36 119.02 1q48 n ILE 67 Ca 0.17 -0.23 -0.08 0.00 0.56 0.00 0.00 62.75 63.17 1q48 n ILE 67 Cb 0.59 -0.38 -0.04 0.00 -0.75 0.00 0.00 39.64 39.06 1q48 n ILE 67 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1q48 h ALA 68 N 2.61 -0.83 -0.02 -1.39 0.00 -1.84 -1.47 119.26 116.33 1q48 h ALA 68 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1q48 h ALA 68 Cb 0.69 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1q48 h ALA 68 CO 0.00 -0.79 -0.14 0.66 0.00 0.00 0.00 179.25 178.98 1q48 h SER 69 N -0.70 0.02 -0.35 0.00 4.64 -1.85 -2.41 113.55 112.90 1q48 h SER 69 Ca -0.05 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1q48 h SER 69 Cb 0.40 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1q48 h SER 69 CO 0.09 0.17 0.19 -1.28 -0.87 0.00 0.00 176.83 175.12 1q48 h SER 70 N 0.02 0.44 -0.37 4.97 0.87 -1.51 0.26 113.55 118.24 1q48 h SER 70 Ca 0.00 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.41 1q48 h SER 70 Cb 0.26 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1q48 h SER 70 CO 0.02 0.41 0.02 0.28 -0.53 0.00 0.00 176.83 177.02 1q48 h SER 71 N 0.43 0.69 0.00 6.23 0.02 -0.78 -2.53 113.55 117.62 1q48 h SER 71 Ca 0.12 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1q48 h SER 71 Cb 0.07 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1q48 h SER 71 CO -0.02 0.75 0.00 -0.11 -1.14 0.00 0.00 176.83 176.31 1q48 n LEU 72 N -4.24 0.81 -0.25 5.07 7.94 -0.93 -2.16 117.00 123.25 1q48 n LEU 72 Ca 0.02 0.47 0.11 0.00 -1.11 0.00 0.00 56.01 55.51 1q48 n LEU 72 Cb 0.28 -0.27 0.22 0.00 0.53 0.00 0.00 43.42 44.17 1q48 n LEU 72 CO 0.41 -0.27 0.58 0.00 -1.11 0.00 0.00 177.39 176.99 1q48 n ILE 73 N -1.32 -0.30 -0.08 1.96 3.06 0.04 0.20 119.36 122.93 1q48 n ILE 73 Ca 0.00 1.58 -0.09 0.00 -2.50 0.00 0.00 62.75 61.73 1q48 n ILE 73 Cb 0.00 -2.31 -0.02 0.00 0.54 0.00 0.00 39.64 37.85 1q48 n ILE 73 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 1q48 h THR 74 N 0.00 1.08 0.00 9.51 1.35 -1.53 0.71 112.91 124.03 1q48 h THR 74 Ca 0.44 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 1q48 h THR 74 Cb 0.92 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1q48 h THR 74 CO -0.67 0.07 0.00 -0.62 -0.25 0.00 0.00 175.52 174.05 1q48 n GLU 75 N -4.89 0.26 -0.06 4.72 1.02 0.55 -2.54 120.64 119.70 1q48 n GLU 75 Ca -0.02 0.11 -0.01 0.00 -0.02 0.00 0.00 57.16 57.22 1q48 n GLU 75 Cb 0.03 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.79 1q48 n GLU 75 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1q48 n TRP 76 N -1.30 0.03 -2.76 -0.32 7.02 0.10 -4.50 117.44 115.70 1q48 n TRP 76 Ca 0.09 0.01 -0.32 0.00 -1.02 0.00 0.00 57.50 56.26 1q48 n TRP 76 Cb 0.16 -0.79 -0.01 0.00 -2.42 0.00 0.00 31.31 28.25 1q48 n TRP 76 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1q48 n VAL 77 N -2.54 4.04 -3.62 -0.99 0.24 0.07 -4.78 118.33 110.75 1q48 n VAL 77 Ca -0.20 -5.61 -0.28 0.00 -2.04 0.00 0.00 64.34 56.21 1q48 n VAL 77 Cb 0.89 -1.43 -0.16 0.00 -1.47 0.00 0.00 33.84 31.67 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 -3.79 0.29 0.00 7.34 2.20 -1.24 -4.35 119.74 120.19 1q48 s LYS 78 Ca 0.46 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1q48 s LYS 78 Cb 0.27 -1.66 0.00 0.00 -1.51 0.00 0.00 37.83 34.93 1q48 s LYS 78 CO -0.15 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.42 1q48 n GLY 79 N 5.18 1.02 0.00 5.54 0.00 -0.55 -5.00 105.19 111.37 1q48 n GLY 79 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.37 -4.20 1.61 4.76 -1.26 -4.62 118.16 112.81 1q48 n LYS 80 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 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 0.45 -1.37 0.00 0.00 177.40 176.48 1q48 s SER 81 N -1.00 5.25 0.55 4.39 0.15 -1.26 -0.94 113.70 120.83 1q48 s SER 81 Ca 0.00 -0.01 0.23 0.00 0.70 0.00 0.00 55.95 56.87 1q48 s SER 81 Cb 0.00 -1.38 1.52 0.00 -1.71 0.00 0.00 66.02 64.45 1q48 s SER 81 CO 0.00 0.25 2.19 -0.07 1.20 0.00 0.00 173.24 176.81 1q48 h LEU 82 N 4.05 0.00 -1.12 3.45 3.38 -1.91 -1.33 115.31 121.83 1q48 h LEU 82 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1q48 h LEU 82 Cb 1.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1q48 h LEU 82 CO 0.60 0.01 0.45 -0.08 0.09 0.00 0.00 178.44 179.50 1q48 h GLU 83 N 0.00 1.06 0.00 1.13 4.81 -1.94 -0.56 114.58 119.08 1q48 h GLU 83 Ca -0.00 -0.10 -0.18 0.00 -0.13 0.00 0.00 59.36 58.94 1q48 h GLU 83 Cb 0.02 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1q48 h GLU 83 CO 0.00 0.75 -0.88 0.93 -0.73 0.00 0.00 179.01 179.08 1q48 h GLU 84 N 1.07 0.00 -0.08 1.92 5.08 -1.66 -3.23 114.58 117.68 1q48 h GLU 84 Ca 0.28 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1q48 h GLU 84 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1q48 h GLU 84 CO -0.05 0.88 -0.56 0.00 -1.00 0.00 0.00 179.01 178.28 1q48 h ALA 85 N 1.12 0.90 -0.48 3.43 0.00 -0.96 -2.78 119.26 120.50 1q48 h ALA 85 Ca -0.01 -0.52 -0.25 0.00 0.00 0.00 0.00 54.91 54.14 1q48 h ALA 85 Cb 1.67 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 19.22 1q48 h ALA 85 CO 0.11 0.70 0.32 0.41 0.00 0.00 0.00 179.25 180.79 1q48 n GLY 86 N 0.17 3.21 0.45 0.00 0.00 -0.28 -3.71 105.19 105.04 1q48 n GLY 86 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.27 1.90 0.03 4.61 0.00 -1.07 -4.91 120.51 120.80 1q48 n ALA 87 Ca 0.29 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.74 1q48 n ALA 87 Cb 1.05 -0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.42 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 1.01 -1.46 0.00 -5.35 -1.08 -5.03 119.36 107.44 1q48 n ILE 88 Ca 0.00 -0.66 0.04 0.00 -0.27 0.00 0.00 62.75 61.86 1q48 n ILE 88 Cb 0.50 -0.59 -0.02 0.00 -1.74 0.00 0.00 39.64 37.79 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 -2.79 -3.36 0.19 6.28 5.02 -1.26 -3.93 118.16 118.30 1q48 n LYS 89 Ca -0.09 2.65 0.08 0.00 -2.02 0.00 0.00 58.31 58.93 1q48 n LYS 89 Cb 0.79 -3.51 0.13 0.00 -0.02 0.00 0.00 35.03 32.42 1q48 n LYS 89 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1q48 h ASN 90 N -0.30 0.00 -0.97 4.39 -1.07 -1.93 -3.23 115.58 112.47 1q48 h ASN 90 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.32 1q48 h ASN 90 Cb 0.94 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.14 1q48 h ASN 90 CO 0.02 0.21 0.61 0.28 0.07 0.00 0.00 177.43 178.62 1q48 h SER 91 N 0.00 1.15 -0.20 6.14 0.02 -1.89 -0.00 113.55 118.76 1q48 h SER 91 Ca -0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1q48 h SER 91 Cb 1.14 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1q48 h SER 91 CO 0.03 0.86 0.09 -0.61 -1.14 0.00 0.00 176.83 176.06 1q48 h GLN 92 N 1.33 0.29 -0.52 3.45 4.15 -1.67 0.10 115.11 122.24 1q48 h GLN 92 Ca 0.35 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.69 1q48 h GLN 92 Cb -0.09 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1q48 h GLN 92 CO -0.07 0.32 0.16 0.82 -1.93 0.00 0.00 178.83 178.13 1q48 h ILE 93 N 0.19 1.21 -0.32 2.39 2.04 -1.57 0.33 117.51 121.78 1q48 h ILE 93 Ca 0.07 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 65.15 1q48 h ILE 93 Cb 0.13 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1q48 h ILE 93 CO -0.01 0.27 -0.07 0.00 0.00 0.00 0.00 178.15 178.35 1q48 h ALA 94 N 1.42 0.44 -0.10 1.87 0.00 -0.53 -1.92 119.26 120.44 1q48 h ALA 94 Ca 0.17 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1q48 h ALA 94 Cb 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1q48 h ALA 94 CO -0.01 0.26 -0.33 0.93 0.00 0.00 0.00 179.25 180.11 1q48 h GLU 95 N 0.39 0.19 -0.44 0.00 5.08 -0.40 3.60 114.58 123.01 1q48 h GLU 95 Ca 0.08 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1q48 h GLU 95 Cb 0.55 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1q48 h GLU 95 CO 0.03 0.50 -0.15 1.49 -1.00 0.00 0.00 179.01 179.89 1q48 h GLU 96 N 0.17 0.87 0.02 2.33 4.57 -0.68 -3.30 114.58 118.56 1q48 h GLU 96 Ca 0.02 -0.35 -0.36 0.00 -1.18 0.00 0.00 59.36 57.49 1q48 h GLU 96 Cb 0.67 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.16 1q48 h GLU 96 CO 0.05 0.99 -2.25 -0.11 -1.18 0.00 0.00 179.01 176.51 1q48 n LEU 97 N -4.24 1.67 -0.38 1.64 7.94 -0.75 -5.00 117.00 117.88 1q48 n LEU 97 Ca -0.01 0.05 -0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1q48 n LEU 97 Cb 0.40 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.01 1q48 n LEU 97 CO 0.44 0.70 -0.01 1.21 -1.11 0.00 0.00 177.39 178.63 1q48 n GLU 98 N -3.11 -0.32 -1.48 1.96 2.13 1.19 -4.97 120.64 116.05 1q48 n GLU 98 Ca -0.35 0.09 -0.40 0.00 0.66 0.00 0.00 57.16 57.16 1q48 n GLU 98 Cb 1.06 -3.47 0.02 0.00 0.27 0.00 0.00 31.44 29.32 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 -0.46 0.56 -4.77 4.31 -0.00 -1.23 -4.89 117.00 110.54 1q48 n LEU 99 Ca -0.02 0.86 -0.37 0.00 -0.00 0.00 0.00 56.01 56.48 1q48 n LEU 99 Cb 0.51 -1.16 0.01 0.00 -0.00 0.00 0.00 43.42 42.78 1q48 n LEU 99 CO 0.04 -2.80 0.85 -2.16 -0.00 0.00 0.00 177.39 173.32 1q48 s PRO 100 N -1.82 3.51 0.00 1.47 0.04 -1.26 -4.88 135.00 132.06 1q48 s PRO 100 Ca 0.65 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1q48 s PRO 100 Cb -0.54 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1q48 s PRO 100 CO 0.57 -0.77 0.36 -0.35 0.04 0.00 0.00 177.00 176.84 1q48 n PRO 101 N -0.79 0.50 -0.24 0.56 -0.04 -1.26 -2.90 135.00 130.82 1q48 n PRO 101 Ca 0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 1q48 n PRO 101 Cb 0.48 -1.14 0.26 0.00 -0.04 0.00 0.00 33.50 33.06 1q48 n PRO 101 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1q48 n VAL 102 N -0.08 0.62 -2.00 0.52 0.24 -1.26 -4.34 118.33 112.03 1q48 n VAL 102 Ca 0.00 -0.77 -0.03 0.00 -2.04 0.00 0.00 64.34 61.50 1q48 n VAL 102 Cb 0.07 0.75 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 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 1.40 0.00 -0.36 7.34 4.81 -1.14 -4.94 118.16 125.27 1q48 n LYS 103 Ca 0.20 -0.49 0.34 0.00 -0.87 0.00 0.00 58.31 57.50 1q48 n LYS 103 Cb 0.57 0.24 0.52 0.00 0.02 0.00 0.00 35.03 36.39 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 0.00 0.00 -0.48 3.15 0.31 -1.25 -0.03 118.33 120.03 1q48 n VAL 104 Ca -0.14 1.24 0.42 0.00 -0.01 0.00 0.00 64.34 65.85 1q48 n VAL 104 Cb 0.60 -2.16 0.73 0.00 -0.91 0.00 0.00 33.84 32.11 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 -0.43 3.52 3.86 -1.94 1.28 115.15 121.44 1q48 h HIS 105 Ca 0.60 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.72 1q48 h HIS 105 Cb 2.99 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 31.44 1q48 h HIS 105 CO 0.00 0.00 -0.10 0.00 0.86 0.00 0.00 177.93 178.69 1q48 h SER 107 N 0.70 -0.58 -0.86 0.00 0.02 0.14 -2.16 113.55 110.82 1q48 h SER 107 Ca 0.12 0.02 0.20 0.00 -0.84 0.00 0.00 61.79 61.29 1q48 h SER 107 Cb 0.58 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 1q48 h SER 107 CO 0.04 -0.24 0.58 0.40 -1.14 0.00 0.00 176.83 176.47 1q48 h ILE 108 N -1.04 0.68 -0.50 3.27 2.04 -1.58 0.93 117.51 121.31 1q48 h ILE 108 Ca -0.07 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1q48 h ILE 108 Cb 0.52 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1q48 h ILE 108 CO 0.11 0.06 0.11 -0.07 0.00 0.00 0.00 178.15 178.37 1q48 h LEU 109 N 0.32 0.76 0.36 1.44 4.07 -1.15 0.69 115.31 121.80 1q48 h LEU 109 Ca 0.44 -0.24 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 1q48 h LEU 109 Cb 1.20 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1q48 h LEU 109 CO -0.13 0.80 -0.28 0.00 -1.08 0.00 0.00 178.44 177.75 1q48 h ALA 110 N 0.99 -0.64 0.62 1.53 0.00 -0.14 0.99 119.26 122.62 1q48 h ALA 110 Ca 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1q48 h ALA 110 Cb 0.34 0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1q48 h ALA 110 CO 0.00 -0.88 -0.30 1.49 0.00 0.00 0.00 179.25 179.56 1q48 h GLU 111 N -0.64 -0.80 -1.10 0.00 4.81 -1.41 -2.07 114.58 113.36 1q48 h GLU 111 Ca -0.03 0.05 0.31 0.00 -0.13 0.00 0.00 59.36 59.57 1q48 h GLU 111 Cb 0.56 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.07 1q48 h GLU 111 CO -0.01 -0.51 0.78 0.22 -0.73 0.00 0.00 179.01 178.76 1q48 h ASP 112 N -0.91 0.08 0.37 1.04 3.58 -0.79 -1.27 116.42 118.53 1q48 h ASP 112 Ca -0.09 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 1q48 h ASP 112 Cb 0.66 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1q48 h ASP 112 CO 0.14 0.01 -0.18 0.00 -2.88 0.00 0.00 179.24 176.33 1q48 h ALA 113 N 1.47 -0.87 -1.01 -0.78 0.00 -0.10 0.53 119.26 118.50 1q48 h ALA 113 Ca 0.54 -0.11 0.29 0.00 0.00 0.00 0.00 54.91 55.63 1q48 h ALA 113 Cb 2.02 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.96 1q48 h ALA 113 CO -0.06 -0.84 0.73 0.97 0.00 0.00 0.00 179.25 180.05 1q48 h ILE 114 N -0.63 0.50 -0.14 0.00 6.09 -1.02 0.30 117.51 122.60 1q48 h ILE 114 Ca -0.05 -0.01 -0.14 0.00 -1.37 0.00 0.00 64.86 63.29 1q48 h ILE 114 Cb 0.38 0.48 0.00 0.00 0.47 0.00 0.00 36.82 38.16 1q48 h ILE 114 CO 0.08 0.00 -0.46 0.50 -3.07 0.00 0.00 178.15 175.21 1q48 h LYS 115 N 0.02 0.56 -0.05 2.19 3.64 -1.02 -1.68 116.57 120.23 1q48 h LYS 115 Ca 0.49 -0.41 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 1q48 h LYS 115 Cb 1.91 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.79 1q48 h LYS 115 CO -0.02 1.04 -0.46 0.00 -2.27 0.00 0.00 179.45 177.74 1q48 h ALA 116 N 0.53 1.14 0.40 5.00 0.00 0.18 -2.48 119.26 124.03 1q48 h ALA 116 Ca -0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1q48 h ALA 116 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1q48 h ALA 116 CO 0.10 0.60 -0.19 0.00 0.00 0.00 0.00 179.25 179.76 1q48 h ALA 117 N 1.44 -0.53 -0.83 0.00 0.00 -0.81 -2.45 119.26 116.07 1q48 h ALA 117 Ca 0.00 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 54.95 1q48 h ALA 117 Cb 0.85 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 1q48 h ALA 117 CO 0.06 -0.52 0.31 0.82 0.00 0.00 0.00 179.25 179.92 1q48 h ILE 118 N -1.08 0.51 0.80 0.00 2.04 -1.34 -1.00 117.51 117.45 1q48 h ILE 118 Ca -0.05 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1q48 h ILE 118 Cb 0.48 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1q48 h ILE 118 CO 0.09 0.07 -0.50 0.00 0.00 0.00 0.00 178.15 177.81 1q48 h ALA 119 N 1.66 -1.28 -1.05 1.87 0.00 -1.46 0.29 119.26 119.29 1q48 h ALA 119 Ca 0.50 -0.25 0.28 0.00 0.00 0.00 0.00 54.91 55.43 1q48 h ALA 119 Cb 0.89 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 19.20 1q48 h ALA 119 CO -0.51 -1.24 0.69 -0.44 0.00 0.00 0.00 179.25 177.75 1q48 h ASP 120 N -1.22 0.38 0.23 0.00 5.19 -0.81 0.17 116.42 120.36 1q48 h ASP 120 Ca -0.11 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1q48 h ASP 120 Cb 0.97 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1q48 h ASP 120 CO 0.11 0.07 -0.11 0.22 -3.12 0.00 0.00 179.24 176.41 1q48 h TYR 121 N 0.34 -0.28 -0.40 4.55 5.03 -0.41 -3.09 116.97 122.70 1q48 h TYR 121 Ca 0.59 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 62.01 1q48 h TYR 121 Cb 1.60 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.96 1q48 h TYR 121 CO -0.00 -0.18 0.52 -0.22 -1.32 0.00 0.00 178.16 176.96 1q48 h LYS 122 N -0.51 0.00 0.00 1.82 1.63 -0.46 0.50 116.57 119.55 1q48 h LYS 122 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1q48 h LYS 122 Cb 0.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1q48 h LYS 122 CO 0.05 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.05 1q48 n ALA 123 N -2.24 1.53 -0.04 5.00 0.00 0.56 -1.98 120.51 123.33 1q48 n ALA 123 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 1q48 n ALA 123 Cb 0.69 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 1q48 n ALA 123 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1q48 n LYS 124 N -1.24 2.33 0.04 0.00 5.02 0.17 -4.38 118.16 120.10 1q48 n LYS 124 Ca 0.03 -0.01 0.13 0.00 -2.02 0.00 0.00 58.31 56.44 1q48 n LYS 124 Cb 0.05 -1.23 0.52 0.00 -0.02 0.00 0.00 35.03 34.34 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 -2.30 0.09 0.05 1.97 -0.06 -0.84 -2.91 117.38 113.39 1q48 n GLN 125 Ca -0.14 0.11 0.11 0.00 -2.00 0.00 0.00 57.00 55.09 1q48 n GLN 125 Cb 0.75 -1.62 0.03 0.00 -4.06 0.00 0.00 30.24 25.34 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 1.22 -1.30 0.18 1.69 0.00 -0.99 -1.95 105.19 104.03 1q48 n GLY 126 Ca 0.06 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.73 -3.40 115.31 117.02 1q48 h LEU 127 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1q48 h LEU 127 Cb 0.83 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1q48 h LEU 127 CO 0.00 0.00 -0.53 -1.84 -0.34 0.00 0.00 178.44 175.73 1q48 n GLU 128 N -2.83 0.12 -0.09 1.25 0.28 -1.25 -5.07 120.64 113.05 1q48 n GLU 128 Ca 0.04 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1q48 n GLU 128 Cb 0.50 -0.70 0.00 0.00 1.43 0.00 0.00 31.44 32.67 1q48 n GLU 128 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1q48 n HIS 129 N -3.58 -0.60 -1.76 -1.84 8.25 -0.82 -5.05 115.22 109.82 1q48 n HIS 129 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1q48 n HIS 129 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 1q48 n HIS 129 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1q48 n HIS 130 N -0.26 0.00 -1.09 4.41 8.25 -1.26 -4.52 115.22 120.76 1q48 n HIS 130 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1q48 n HIS 130 Cb 0.00 0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1q48 n HIS 130 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1q48 n HIS 131 N 0.00 0.00 -2.66 4.41 8.25 -1.26 -4.98 115.22 118.99 1q48 n HIS 131 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 1q48 n HIS 131 Cb 0.54 0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.62 1q48 n HIS 131 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1q48 n HIS 132 N 13.56 -3.83 0.00 4.41 8.25 -1.26 -4.99 115.22 131.36 1q48 n HIS 132 Ca 0.00 2.23 0.00 0.00 -0.26 0.00 0.00 57.72 59.69 1q48 n HIS 132 Cb 0.00 -3.46 0.00 0.00 1.12 0.00 0.00 29.99 27.65 1q48 n HIS 132 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q48 n HIS 133 N 1.87 0.00 -0.43 4.41 -0.00 -1.26 -5.27 115.22 114.53 1q48 n HIS 133 Ca -0.34 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.84 1q48 n HIS 133 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 1q48 n HIS 133 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41