#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s TRP 2 N 0.00 3.68 0.11 0.66 1.48 -1.26 -5.06 118.94 118.55 1q81 s TRP 2 Ca 0.00 1.52 -0.07 0.00 -1.06 0.00 0.00 56.10 56.50 1q81 s TRP 2 Cb 0.00 -2.72 -0.06 0.00 -1.16 0.00 0.00 33.47 29.53 1q81 s TRP 2 CO 0.00 0.31 0.38 -0.51 -4.06 0.00 0.00 176.95 173.07 1q81 s ASP 3 N -1.60 6.54 0.00 -2.66 1.01 -1.26 -5.04 116.67 113.67 1q81 s ASP 3 Ca 0.45 0.66 -0.25 0.00 0.71 0.00 0.00 52.55 54.12 1q81 s ASP 3 Cb -0.18 -2.12 -0.16 0.00 1.01 0.00 0.00 42.92 41.47 1q81 s ASP 3 CO 0.22 0.10 1.16 0.58 0.21 0.00 0.00 175.17 177.44 1q81 h VAL 4 N 2.39 0.53 -3.62 -1.27 2.07 -1.94 -3.40 116.25 111.00 1q81 h VAL 4 Ca -0.47 -0.57 -0.51 0.00 0.82 0.00 0.00 66.70 65.97 1q81 h VAL 4 Cb 1.18 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1q81 h VAL 4 CO 0.70 0.09 0.32 -0.63 0.02 0.00 0.00 177.57 178.07 1q81 s ILE 5 N -4.52 4.34 -0.24 4.57 1.01 -1.26 -1.39 121.20 123.71 1q81 s ILE 5 Ca -0.14 1.99 -0.11 0.00 0.00 0.00 0.00 60.65 62.39 1q81 s ILE 5 Cb 0.02 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 1q81 s ILE 5 CO 0.50 0.42 -0.30 0.29 0.00 0.00 0.00 174.94 175.85 1q81 n LYS 6 N 2.13 0.50 0.00 2.79 5.02 0.56 -4.90 118.16 124.27 1q81 n LYS 6 Ca -0.01 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1q81 n LYS 6 Cb 0.48 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1q81 n LYS 6 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1q81 n HIS 7 N -4.02 0.00 -2.28 2.13 1.44 -1.11 -5.01 115.22 106.36 1q81 n HIS 7 Ca -0.46 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 54.84 1q81 n HIS 7 Cb 0.83 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.91 1q81 n HIS 7 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1q81 s PRO 8 N -2.00 4.48 -0.99 -1.40 0.02 -1.26 -0.68 135.00 133.17 1q81 s PRO 8 Ca 0.00 2.02 -0.13 0.00 0.02 0.00 0.00 61.00 62.91 1q81 s PRO 8 Cb 0.00 -3.14 0.21 0.00 0.02 0.00 0.00 34.50 31.59 1q81 s PRO 8 CO 0.00 -0.03 1.03 -1.58 -0.33 0.00 0.00 177.00 176.09 1q81 s HIS 9 N -0.97 3.76 -0.47 6.54 2.46 0.11 -4.77 115.29 121.95 1q81 s HIS 9 Ca 0.48 -2.11 -0.22 0.00 0.47 0.00 0.00 55.06 53.68 1q81 s HIS 9 Cb -0.36 -3.98 0.03 0.00 -0.13 0.00 0.00 32.58 28.14 1q81 s HIS 9 CO 0.46 -1.13 0.77 0.54 -2.47 0.00 0.00 174.74 172.90 1q81 s VAL 10 N 0.42 4.67 0.19 0.89 0.11 -1.26 -4.68 120.40 120.73 1q81 s VAL 10 Ca 0.28 0.27 -0.07 0.00 -2.93 0.00 0.00 61.98 59.53 1q81 s VAL 10 Cb -0.08 -4.33 -0.02 0.00 -1.53 0.00 0.00 36.38 30.43 1q81 s VAL 10 CO -0.07 -0.75 0.27 0.42 -3.33 0.00 0.00 175.10 171.63 1q81 s THR 11 N 3.23 0.04 0.21 5.04 -4.23 -1.26 -4.99 115.64 113.68 1q81 s THR 11 Ca 0.27 -1.58 -0.13 0.00 -1.18 0.00 0.00 61.69 59.07 1q81 s THR 11 Cb -0.13 -2.09 0.21 0.00 1.34 0.00 0.00 72.50 71.83 1q81 s THR 11 CO 0.21 -0.18 1.64 -0.33 -0.54 0.00 0.00 174.62 175.41 1q81 h GLU 12 N 2.52 0.02 0.00 3.99 3.07 -2.00 0.28 114.58 122.47 1q81 h GLU 12 Ca -0.32 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.51 1q81 h GLU 12 Cb 1.23 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1q81 h GLU 12 CO 0.47 0.01 -0.15 -0.22 -1.40 0.00 0.00 179.01 177.73 1q81 h LYS 13 N 0.02 0.00 0.00 2.33 3.64 -1.97 -1.42 116.57 119.16 1q81 h LYS 13 Ca 0.30 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1q81 h LYS 13 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1q81 h LYS 13 CO -0.60 0.15 -0.30 0.00 -2.27 0.00 0.00 179.45 176.43 1q81 h ALA 14 N 1.85 0.81 -0.04 5.00 0.00 -0.83 -3.11 119.26 122.95 1q81 h ALA 14 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1q81 h ALA 14 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1q81 h ALA 14 CO 0.02 0.38 -0.18 0.52 0.00 0.00 0.00 179.25 179.98 1q81 h MET 15 N 0.00 0.19 -0.52 0.00 2.86 0.13 -3.03 114.93 114.56 1q81 h MET 15 Ca -0.00 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1q81 h MET 15 Cb 1.20 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 1q81 h MET 15 CO 0.04 0.81 0.34 -0.91 1.06 0.00 0.00 176.91 178.25 1q81 h ASN 16 N -0.38 0.58 -0.10 1.22 2.35 -1.51 0.28 115.58 118.01 1q81 h ASN 16 Ca -0.01 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 1q81 h ASN 16 Cb 0.84 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1q81 h ASN 16 CO 0.04 0.42 -0.35 0.44 -1.65 0.00 0.00 177.43 176.32 1q81 h ASP 17 N 0.68 0.64 0.46 5.81 5.19 -1.61 0.67 116.42 128.25 1q81 h ASP 17 Ca 0.19 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 1q81 h ASP 17 Cb -0.05 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.29 1q81 h ASP 17 CO -0.04 0.94 -0.22 -0.03 -3.12 0.00 0.00 179.24 176.76 1q81 h MET 18 N 0.51 -0.59 -0.51 3.56 4.05 -1.09 0.16 114.93 121.02 1q81 h MET 18 Ca 0.05 0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.41 1q81 h MET 18 Cb 0.85 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.77 1q81 h MET 18 CO 0.07 -0.33 -0.10 -0.44 0.23 0.00 0.00 176.91 176.34 1q81 h ASP 19 N -1.10 0.94 0.38 1.39 3.32 -0.56 -2.53 116.42 118.26 1q81 h ASP 19 Ca -0.06 -0.30 -0.17 0.00 0.02 0.00 0.00 57.03 56.51 1q81 h ASP 19 Cb 0.53 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1q81 h ASP 19 CO 0.10 1.06 -1.77 0.49 -1.72 0.00 0.00 179.24 177.40 1q81 n PHE 20 N -4.15 0.52 -0.47 4.55 0.99 0.23 -4.64 117.46 114.49 1q81 n PHE 20 Ca 0.02 0.17 0.00 0.00 -0.00 0.00 0.00 57.45 57.64 1q81 n PHE 20 Cb 0.39 -0.93 0.00 0.00 -1.00 0.00 0.00 39.48 37.94 1q81 n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1q81 n GLN 21 N -2.71 1.12 -3.38 -1.08 6.02 0.44 -5.02 117.38 112.76 1q81 n GLN 21 Ca -0.14 -0.86 -0.17 0.00 -0.01 0.00 0.00 57.00 55.82 1q81 n GLN 21 Cb 0.85 -0.77 0.08 0.00 1.02 0.00 0.00 30.24 31.43 1q81 n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1q81 n ASN 22 N -0.21 -2.65 -4.37 1.08 5.15 -0.44 -4.80 115.26 109.03 1q81 n ASN 22 Ca 0.00 -0.58 -0.28 0.00 -0.60 0.00 0.00 54.58 53.12 1q81 n ASN 22 Cb 0.31 -4.88 -0.13 0.00 -0.53 0.00 0.00 39.78 34.55 1q81 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1q81 s LYS 23 N -5.43 1.41 -0.15 1.20 1.02 -0.71 -1.82 119.74 115.26 1q81 s LYS 23 Ca 0.08 -1.28 0.01 0.00 0.02 0.00 0.00 55.97 54.81 1q81 s LYS 23 Cb -0.04 -1.82 0.02 0.00 -0.52 0.00 0.00 37.83 35.47 1q81 s LYS 23 CO 0.69 0.44 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.87 1q81 s LEU 24 N -1.91 1.93 -0.17 3.17 1.43 0.20 -3.33 118.68 120.00 1q81 s LEU 24 Ca 0.12 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1q81 s LEU 24 Cb -0.10 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.76 1q81 s LEU 24 CO 0.05 0.01 0.24 -1.10 0.23 0.00 0.00 176.35 175.79 1q81 s GLN 25 N 1.13 4.21 0.14 1.70 -0.21 -1.26 -0.99 119.66 124.37 1q81 s GLN 25 Ca -0.01 -0.00 0.07 0.00 0.02 0.00 0.00 55.36 55.43 1q81 s GLN 25 Cb -0.14 -3.41 -0.04 0.00 1.00 0.00 0.00 33.01 30.42 1q81 s GLN 25 CO -0.07 0.28 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.17 1q81 s PHE 26 N 0.37 1.52 -0.48 0.91 0.40 0.15 0.05 117.98 120.89 1q81 s PHE 26 Ca 0.14 -0.55 -0.17 0.00 -0.60 0.00 0.00 56.93 55.76 1q81 s PHE 26 Cb -0.12 -0.78 0.06 0.00 0.51 0.00 0.00 43.02 42.70 1q81 s PHE 26 CO 0.02 0.20 0.47 0.00 0.70 0.00 0.00 175.22 176.61 1q81 s ALA 27 N -2.24 3.50 0.39 5.36 0.00 0.14 -0.93 121.76 127.98 1q81 s ALA 27 Ca 0.12 -1.97 0.08 0.00 0.00 0.00 0.00 51.96 50.19 1q81 s ALA 27 Cb -0.04 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1q81 s ALA 27 CO 0.04 -1.81 0.23 0.14 0.00 0.00 0.00 175.76 174.36 1q81 s VAL 28 N 1.97 2.61 0.06 0.00 -7.23 0.22 -0.32 120.40 117.71 1q81 s VAL 28 Ca 0.08 -1.59 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 1q81 s VAL 28 Cb -0.22 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.67 1q81 s VAL 28 CO 0.09 -0.05 1.12 -0.62 -0.31 0.00 0.00 175.10 175.32 1q81 s ASP 29 N -3.96 7.20 0.13 4.85 -1.08 -0.48 -2.91 116.67 120.42 1q81 s ASP 29 Ca 0.42 1.92 0.07 0.00 -0.52 0.00 0.00 52.55 54.44 1q81 s ASP 29 Cb 0.00 -2.58 0.37 0.00 -1.46 0.00 0.00 42.92 39.25 1q81 s ASP 29 CO 0.24 -0.37 1.12 -0.90 0.52 0.00 0.00 175.17 175.79 1q81 n ASP 30 N 3.69 0.18 -0.22 -0.34 5.75 -1.26 -1.04 116.55 123.30 1q81 n ASP 30 Ca 0.07 0.50 0.14 0.00 -0.01 0.00 0.00 54.79 55.48 1q81 n ASP 30 Cb 0.48 -0.50 0.51 0.00 -1.03 0.00 0.00 41.12 40.58 1q81 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1q81 n ARG 31 N -1.69 0.90 -2.83 0.11 1.74 -1.26 -4.86 116.66 108.76 1q81 n ARG 31 Ca -0.00 -0.43 -0.41 0.00 -0.77 0.00 0.00 57.85 56.23 1q81 n ARG 31 Cb 0.14 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 1q81 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q81 s ALA 32 N -2.40 3.26 0.67 7.54 0.00 -0.21 -5.05 121.76 125.56 1q81 s ALA 32 Ca 0.29 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.61 1q81 s ALA 32 Cb 0.20 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 20.18 1q81 s ALA 32 CO 0.47 -0.09 0.98 -1.54 0.00 0.00 0.00 175.76 175.58 1q81 s SER 33 N 0.48 5.05 0.47 0.00 1.04 -1.26 -4.90 113.70 114.59 1q81 s SER 33 Ca 0.45 0.53 0.15 0.00 0.48 0.00 0.00 55.95 57.57 1q81 s SER 33 Cb -0.21 -1.28 1.14 0.00 0.10 0.00 0.00 66.02 65.76 1q81 s SER 33 CO 0.26 -1.43 2.05 0.11 0.98 0.00 0.00 173.24 175.20 1q81 h LYS 34 N -0.47 0.24 0.50 4.02 1.57 -1.97 -2.03 116.57 118.43 1q81 h LYS 34 Ca -0.45 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1q81 h LYS 34 Cb 1.30 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1q81 h LYS 34 CO 0.60 0.16 -0.24 0.78 -0.57 0.00 0.00 179.45 180.18 1q81 h GLY 35 N 0.24 -0.70 1.69 3.86 0.00 -1.95 -1.87 103.07 104.34 1q81 h GLY 35 Ca 0.17 0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.79 1q81 h GLY 35 CO -0.03 -0.25 0.15 0.83 0.00 0.00 0.00 176.54 177.23 1q81 h GLU 36 N -0.89 0.17 -0.24 4.80 5.08 -1.84 -1.48 114.58 120.17 1q81 h GLU 36 Ca -0.07 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1q81 h GLU 36 Cb 0.59 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1q81 h GLU 36 CO 0.11 0.11 -0.31 0.28 -1.00 0.00 0.00 179.01 178.20 1q81 h VAL 37 N 0.17 1.32 0.38 3.13 2.07 -1.29 -2.46 116.25 119.56 1q81 h VAL 37 Ca 0.09 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 1q81 h VAL 37 Cb 0.16 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1q81 h VAL 37 CO -0.02 0.47 -0.42 0.00 0.02 0.00 0.00 177.57 177.62 1q81 h ALA 38 N 0.66 -0.91 -0.08 1.67 0.00 -0.42 -1.59 119.26 118.58 1q81 h ALA 38 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1q81 h ALA 38 Cb 0.89 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1q81 h ALA 38 CO 0.07 -1.05 0.01 -0.44 0.00 0.00 0.00 179.25 177.84 1q81 h ASP 39 N -0.83 -0.00 -0.99 0.00 3.32 -1.53 -1.56 116.42 114.82 1q81 h ASP 39 Ca -0.03 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.16 1q81 h ASP 39 Cb 0.75 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.24 1q81 h ASP 39 CO -0.09 0.01 0.62 0.00 -1.72 0.00 0.00 179.24 178.06 1q81 h ALA 40 N 1.06 1.58 -0.19 3.45 0.00 -1.38 -0.27 119.26 123.50 1q81 h ALA 40 Ca 0.04 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1q81 h ALA 40 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1q81 h ALA 40 CO -0.05 0.17 -0.10 0.28 0.00 0.00 0.00 179.25 179.55 1q81 h VAL 41 N 0.94 1.31 -0.47 0.00 2.07 -0.89 -2.42 116.25 116.78 1q81 h VAL 41 Ca 0.49 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1q81 h VAL 41 Cb 0.55 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1q81 h VAL 41 CO -0.26 0.35 0.22 -0.33 0.02 0.00 0.00 177.57 177.57 1q81 h GLU 42 N 0.09 0.68 0.00 1.57 5.08 -0.54 -1.81 114.58 119.66 1q81 h GLU 42 Ca 0.04 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1q81 h GLU 42 Cb 0.58 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1q81 h GLU 42 CO 0.03 0.58 -0.26 0.93 -1.00 0.00 0.00 179.01 179.30 1q81 h GLU 43 N 0.62 0.00 0.13 2.33 5.08 -1.08 0.48 114.58 122.14 1q81 h GLU 43 Ca 0.16 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.20 1q81 h GLU 43 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1q81 h GLU 43 CO -0.02 0.26 -1.67 1.96 -1.00 0.00 0.00 179.01 178.54 1q81 h GLN 44 N 0.00 0.28 -0.13 2.33 1.08 -1.20 -3.38 115.11 114.10 1q81 h GLN 44 Ca -0.00 -0.48 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1q81 h GLN 44 Cb 0.56 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1q81 h GLN 44 CO 0.03 1.15 0.00 0.66 -0.95 0.00 0.00 178.83 179.72 1q81 n TYR 45 N -3.47 0.17 -3.56 2.96 4.02 -0.70 -5.02 117.16 111.55 1q81 n TYR 45 Ca -0.21 -0.27 -0.25 0.00 -0.01 0.00 0.00 57.90 57.17 1q81 n TYR 45 Cb 1.06 -0.02 0.04 0.00 -0.02 0.00 0.00 39.34 40.39 1q81 n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1q81 n ASP 46 N 0.29 -5.77 -3.83 7.72 -0.08 0.17 -5.00 116.55 110.04 1q81 n ASP 46 Ca 0.06 -0.85 -0.15 0.00 -1.51 0.00 0.00 54.79 52.34 1q81 n ASP 46 Cb 0.28 -3.64 -0.09 0.00 2.34 0.00 0.00 41.12 40.01 1q81 n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1q81 s VAL 47 N -3.34 0.02 -0.30 5.18 -7.23 -1.15 -5.06 120.40 108.53 1q81 s VAL 47 Ca 0.36 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 1q81 s VAL 47 Cb -0.12 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.33 1q81 s VAL 47 CO 0.84 0.00 0.09 -0.89 -0.31 0.00 0.00 175.10 174.83 1q81 s THR 48 N -3.83 4.05 -0.20 5.32 2.01 -1.26 -4.47 115.64 117.27 1q81 s THR 48 Ca 0.40 -0.68 -0.24 0.00 0.31 0.00 0.00 61.69 61.48 1q81 s THR 48 Cb 0.05 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 1q81 s THR 48 CO 0.19 0.06 0.78 -0.69 -0.69 0.00 0.00 174.62 174.27 1q81 s VAL 49 N 1.51 4.90 -0.11 3.82 1.01 -1.26 -1.60 120.40 128.67 1q81 s VAL 49 Ca 0.03 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.49 1q81 s VAL 49 Cb -0.17 -4.09 -0.25 0.00 0.00 0.00 0.00 36.38 31.87 1q81 s VAL 49 CO 0.03 0.02 0.39 -0.62 0.00 0.00 0.00 175.10 174.92 1q81 n GLU 50 N 5.40 0.74 -3.66 2.72 -0.58 0.50 -4.91 120.64 120.84 1q81 n GLU 50 Ca 0.03 0.26 -0.14 0.00 -0.42 0.00 0.00 57.16 56.90 1q81 n GLU 50 Cb 0.49 -1.72 -0.07 0.00 -0.57 0.00 0.00 31.44 29.57 1q81 n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1q81 s GLN 51 N -2.56 0.88 -0.19 3.49 0.74 -1.16 -4.99 119.66 115.86 1q81 s GLN 51 Ca -0.20 -0.20 -0.04 0.00 0.05 0.00 0.00 55.36 54.98 1q81 s GLN 51 Cb 0.07 0.40 0.07 0.00 1.10 0.00 0.00 33.01 34.64 1q81 s GLN 51 CO 0.77 -0.28 0.08 0.08 -0.55 0.00 0.00 175.29 175.39 1q81 s VAL 52 N -1.91 0.15 -0.14 1.34 1.01 -1.26 -0.72 120.40 118.87 1q81 s VAL 52 Ca -0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1q81 s VAL 52 Cb -0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1q81 s VAL 52 CO 0.02 -0.31 0.07 0.20 0.00 0.00 0.00 175.10 175.07 1q81 s ASN 53 N 2.02 5.72 0.22 3.32 0.01 -0.29 -4.90 114.94 121.03 1q81 s ASN 53 Ca 0.02 0.20 0.10 0.00 -0.71 0.00 0.00 52.86 52.47 1q81 s ASN 53 Cb -0.16 -1.86 -0.05 0.00 0.41 0.00 0.00 41.25 39.59 1q81 s ASN 53 CO -0.12 0.29 -0.19 0.42 -1.51 0.00 0.00 177.10 175.98 1q81 s THR 54 N -0.31 2.14 -0.14 1.60 -4.23 -1.26 0.71 115.64 114.14 1q81 s THR 54 Ca 0.09 -2.15 -0.08 0.00 -1.18 0.00 0.00 61.69 58.36 1q81 s THR 54 Cb -0.12 -2.09 0.05 0.00 1.34 0.00 0.00 72.50 71.68 1q81 s THR 54 CO 0.02 -0.35 0.34 -1.58 -0.54 0.00 0.00 174.62 172.51 1q81 s GLN 55 N -3.15 0.32 -0.56 3.99 0.74 -0.02 -4.99 119.66 115.99 1q81 s GLN 55 Ca 0.23 0.67 -0.24 0.00 0.05 0.00 0.00 55.36 56.07 1q81 s GLN 55 Cb -0.05 -0.05 0.05 0.00 1.10 0.00 0.00 33.01 34.06 1q81 s GLN 55 CO 0.10 -0.15 0.93 -0.80 -0.55 0.00 0.00 175.29 174.82 1q81 s ASN 56 N 1.27 6.31 0.51 6.67 0.01 -1.26 0.17 114.94 128.62 1q81 s ASN 56 Ca -0.09 -0.45 -0.19 0.00 -0.71 0.00 0.00 52.86 51.42 1q81 s ASN 56 Cb -0.09 -2.43 -0.08 0.00 0.41 0.00 0.00 41.25 39.07 1q81 s ASN 56 CO -0.10 -1.24 1.02 -0.89 -1.51 0.00 0.00 177.10 174.38 1q81 s THR 57 N 3.91 4.04 -0.88 1.60 2.01 0.28 -4.92 115.64 121.68 1q81 s THR 57 Ca 0.29 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.42 1q81 s THR 57 Cb -0.13 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1q81 s THR 57 CO 0.18 -0.40 0.30 0.23 -0.69 0.00 0.00 174.62 174.24 1q81 n MET 58 N -1.29 0.54 0.00 4.92 2.81 -1.26 -1.10 117.12 121.74 1q81 n MET 58 Ca 0.08 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.00 1q81 n MET 58 Cb 0.53 -1.27 -0.00 0.00 -0.71 0.00 0.00 33.22 31.77 1q81 n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1q81 n ASP 59 N 0.29 0.82 0.00 7.83 10.43 -1.26 -4.99 116.55 129.68 1q81 n ASP 59 Ca 0.00 -0.91 0.00 0.00 2.57 0.00 0.00 54.79 56.45 1q81 n ASP 59 Cb 0.15 0.52 0.00 0.00 1.84 0.00 0.00 41.12 43.64 1q81 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1q81 n GLY 60 N 0.74 0.75 3.61 0.44 0.00 -0.26 -5.05 105.19 105.43 1q81 n GLY 60 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1q81 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q81 s GLU 61 N -0.56 1.97 -0.16 1.61 2.02 -1.25 -4.89 118.70 117.43 1q81 s GLU 61 Ca 0.00 -2.18 -0.01 0.00 0.02 0.00 0.00 54.97 52.80 1q81 s GLU 61 Cb 0.00 -1.26 -0.01 0.00 0.10 0.00 0.00 34.13 32.96 1q81 s GLU 61 CO 0.00 -0.26 -0.12 0.21 0.02 0.00 0.00 175.26 175.12 1q81 s LYS 62 N -3.80 3.32 0.05 1.61 2.20 -1.14 -0.56 119.74 121.42 1q81 s LYS 62 Ca 0.24 -0.69 -0.13 0.00 -0.36 0.00 0.00 55.97 55.03 1q81 s LYS 62 Cb 0.06 -2.73 -0.06 0.00 -1.51 0.00 0.00 37.83 33.59 1q81 s LYS 62 CO 0.12 0.03 0.43 0.21 -0.36 0.00 0.00 175.35 175.77 1q81 s LYS 63 N 0.83 3.87 -0.08 4.03 2.20 0.13 -0.61 119.74 130.10 1q81 s LYS 63 Ca -0.04 0.33 0.01 0.00 -0.36 0.00 0.00 55.97 55.92 1q81 s LYS 63 Cb -0.15 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 33.09 1q81 s LYS 63 CO 0.00 0.61 -0.10 0.00 -0.36 0.00 0.00 175.35 175.51 1q81 s ALA 64 N -1.25 1.24 -0.54 3.13 0.00 -0.11 -0.84 121.76 123.38 1q81 s ALA 64 Ca 0.29 -0.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 1q81 s ALA 64 Cb -0.15 -0.67 0.13 0.00 0.00 0.00 0.00 23.12 22.43 1q81 s ALA 64 CO 0.16 -0.07 0.48 0.08 0.00 0.00 0.00 175.76 176.41 1q81 s VAL 65 N 1.02 4.95 -0.24 0.00 1.01 0.22 -0.68 120.40 126.68 1q81 s VAL 65 Ca -0.08 -1.66 -0.10 0.00 0.00 0.00 0.00 61.98 60.14 1q81 s VAL 65 Cb -0.15 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1q81 s VAL 65 CO -0.00 -0.86 0.14 -0.69 0.00 0.00 0.00 175.10 173.69 1q81 s VAL 66 N 1.42 5.14 -0.13 2.92 1.01 -0.16 -1.14 120.40 129.45 1q81 s VAL 66 Ca 0.05 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 1q81 s VAL 66 Cb -0.28 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1q81 s VAL 66 CO 0.01 0.34 0.19 -0.60 0.00 0.00 0.00 175.10 175.05 1q81 s ARG 67 N 1.16 3.81 0.15 2.72 3.52 0.10 0.61 118.95 131.03 1q81 s ARG 67 Ca 0.07 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.64 1q81 s ARG 67 Cb -0.14 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1q81 s ARG 67 CO 0.05 0.56 0.27 -0.51 -0.81 0.00 0.00 175.30 174.86 1q81 s LEU 68 N -0.45 4.28 0.61 -0.88 1.43 -0.76 -0.37 118.68 122.54 1q81 s LEU 68 Ca 0.14 0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.20 1q81 s LEU 68 Cb -0.12 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 1q81 s LEU 68 CO 0.04 0.06 1.22 -0.94 0.23 0.00 0.00 176.35 176.96 1q81 s SER 69 N -3.20 5.02 0.42 2.29 1.04 -0.63 -4.76 113.70 113.88 1q81 s SER 69 Ca 0.34 2.43 0.15 0.00 0.48 0.00 0.00 55.95 59.36 1q81 s SER 69 Cb -0.11 -2.60 0.83 0.00 0.10 0.00 0.00 66.02 64.24 1q81 s SER 69 CO 0.28 -1.71 1.38 -0.33 0.98 0.00 0.00 173.24 173.84 1q81 h GLU 70 N 0.75 0.00 0.00 4.02 5.08 -1.97 0.21 114.58 122.66 1q81 h GLU 70 Ca -0.50 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 1q81 h GLU 70 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1q81 h GLU 70 CO 0.54 0.00 -0.47 0.22 -1.00 0.00 0.00 179.01 178.30 1q81 h ASP 71 N 0.00 0.00 -2.18 1.42 1.82 -1.96 -3.45 116.42 112.08 1q81 h ASP 71 Ca 0.00 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.12 1q81 h ASP 71 Cb 0.74 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.69 1q81 h ASP 71 CO 0.00 0.47 -0.56 -1.81 -1.61 0.00 0.00 179.24 175.73 1q81 s ASP 72 N -6.54 5.21 -0.21 2.28 1.01 0.72 -5.10 116.67 114.04 1q81 s ASP 72 Ca 0.00 -0.39 0.01 0.00 0.71 0.00 0.00 52.55 52.88 1q81 s ASP 72 Cb 0.11 -1.21 0.04 0.00 1.01 0.00 0.00 42.92 42.88 1q81 s ASP 72 CO 0.72 -0.05 -0.11 -0.62 0.21 0.00 0.00 175.17 175.32 1q81 s ASP 73 N -3.80 3.57 0.15 0.27 -1.08 -1.26 -4.75 116.67 109.77 1q81 s ASP 73 Ca 0.33 -0.97 -0.19 0.00 -0.52 0.00 0.00 52.55 51.21 1q81 s ASP 73 Cb -0.07 -1.31 0.06 0.00 -1.46 0.00 0.00 42.92 40.14 1q81 s ASP 73 CO 0.23 -0.14 1.67 0.00 0.52 0.00 0.00 175.17 177.45 1q81 h ALA 74 N 7.94 0.15 -1.00 3.66 0.00 -1.85 -1.74 119.26 126.41 1q81 h ALA 74 Ca -0.27 0.12 0.21 0.00 0.00 0.00 0.00 54.91 54.97 1q81 h ALA 74 Cb 1.09 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 19.09 1q81 h ALA 74 CO 0.49 -0.51 0.62 1.96 0.00 0.00 0.00 179.25 181.81 1q81 h GLN 75 N -0.06 0.62 0.03 0.00 4.20 -1.92 -0.90 115.11 117.08 1q81 h GLN 75 Ca 0.16 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1q81 h GLN 75 Cb 0.30 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1q81 h GLN 75 CO -0.36 0.41 -0.01 0.93 -0.67 0.00 0.00 178.83 179.12 1q81 h GLU 76 N 0.64 -0.04 -0.95 1.46 5.08 -1.83 -2.19 114.58 116.75 1q81 h GLU 76 Ca 0.58 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 59.06 1q81 h GLU 76 Cb 1.07 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 1q81 h GLU 76 CO -0.36 0.66 0.61 0.28 -1.00 0.00 0.00 179.01 179.19 1q81 h VAL 77 N -0.83 0.91 0.00 3.13 2.07 -0.86 -0.32 116.25 120.35 1q81 h VAL 77 Ca -0.00 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1q81 h VAL 77 Cb 0.71 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1q81 h VAL 77 CO 0.01 0.16 -0.50 0.00 0.02 0.00 0.00 177.57 177.26 1q81 h ALA 78 N 1.56 0.75 -0.03 1.67 0.00 -1.26 -3.28 119.26 118.66 1q81 h ALA 78 Ca 0.47 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1q81 h ALA 78 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1q81 h ALA 78 CO -0.23 0.63 -0.28 0.66 0.00 0.00 0.00 179.25 180.03 1q81 h SER 79 N 0.00 0.06 0.12 0.00 4.64 -0.38 -2.91 113.55 115.09 1q81 h SER 79 Ca -0.01 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1q81 h SER 79 Cb 1.26 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1q81 h SER 79 CO 0.07 0.34 0.00 -2.11 -0.87 0.00 0.00 176.83 174.25 1q81 n ARG 80 N -4.19 0.68 0.00 4.77 1.85 -1.15 -5.10 116.66 113.52 1q81 n ARG 80 Ca -0.02 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1q81 n ARG 80 Cb 0.34 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 1q81 n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06