#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s TRP 2 N 0.00 3.27 0.24 0.66 1.48 -1.26 -5.06 118.94 118.27 1q86 s TRP 2 Ca 0.00 1.64 -0.05 0.00 -1.06 0.00 0.00 56.10 56.63 1q86 s TRP 2 Cb 0.00 -3.00 -0.05 0.00 -1.16 0.00 0.00 33.47 29.25 1q86 s TRP 2 CO 0.00 -0.41 0.49 -0.51 -4.06 0.00 0.00 176.95 172.46 1q86 s ASP 3 N -1.85 6.46 -0.06 -2.66 1.01 -1.26 -5.04 116.67 113.27 1q86 s ASP 3 Ca 0.60 0.65 -0.25 0.00 0.71 0.00 0.00 52.55 54.26 1q86 s ASP 3 Cb -0.16 -2.12 -0.21 0.00 1.01 0.00 0.00 42.92 41.44 1q86 s ASP 3 CO 0.21 -0.11 1.03 0.58 0.21 0.00 0.00 175.17 177.10 1q86 h VAL 4 N 1.59 1.36 -3.29 -1.27 2.07 -1.96 -3.41 116.25 111.34 1q86 h VAL 4 Ca -0.47 -1.46 -0.58 0.00 0.82 0.00 0.00 66.70 65.01 1q86 h VAL 4 Cb 1.18 2.30 -0.08 0.00 -1.52 0.00 0.00 31.29 33.17 1q86 h VAL 4 CO 0.68 0.36 -0.20 -0.63 0.02 0.00 0.00 177.57 177.80 1q86 s ILE 5 N -3.50 5.21 -0.22 4.57 1.01 -1.26 -1.85 121.20 125.16 1q86 s ILE 5 Ca -0.16 0.82 -0.12 0.00 0.00 0.00 0.00 60.65 61.18 1q86 s ILE 5 Cb 0.00 -3.75 -0.18 0.00 0.01 0.00 0.00 42.46 38.54 1q86 s ILE 5 CO 0.63 0.37 0.02 0.29 0.00 0.00 0.00 174.94 176.25 1q86 n LYS 6 N 3.47 0.63 0.00 2.79 5.02 0.37 -4.94 118.16 125.51 1q86 n LYS 6 Ca -0.09 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1q86 n LYS 6 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1q86 n LYS 6 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1q86 n HIS 7 N -3.98 0.00 -2.24 2.13 1.44 -1.13 -5.01 115.22 106.43 1q86 n HIS 7 Ca -0.41 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 54.88 1q86 n HIS 7 Cb 0.87 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.95 1q86 n HIS 7 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1q86 s PRO 8 N -2.00 4.29 -0.81 -1.40 0.02 -1.26 -0.76 135.00 133.09 1q86 s PRO 8 Ca 0.00 1.94 -0.24 0.00 0.02 0.00 0.00 61.00 62.72 1q86 s PRO 8 Cb 0.00 -3.56 0.05 0.00 0.02 0.00 0.00 34.50 31.02 1q86 s PRO 8 CO 0.00 -0.56 1.24 -1.58 -0.33 0.00 0.00 177.00 175.77 1q86 s HIS 9 N 2.32 2.50 -0.36 6.54 2.46 -0.22 -4.82 115.29 123.71 1q86 s HIS 9 Ca 0.63 -0.47 -0.12 0.00 0.47 0.00 0.00 55.06 55.57 1q86 s HIS 9 Cb -0.31 -4.54 0.00 0.00 -0.13 0.00 0.00 32.58 27.60 1q86 s HIS 9 CO 0.26 -1.90 0.23 0.54 -2.47 0.00 0.00 174.74 171.40 1q86 s VAL 10 N 4.92 4.97 0.24 0.89 0.11 -1.26 -4.62 120.40 125.65 1q86 s VAL 10 Ca 0.35 -0.51 -0.12 0.00 -2.93 0.00 0.00 61.98 58.77 1q86 s VAL 10 Cb -0.08 -3.65 -0.01 0.00 -1.53 0.00 0.00 36.38 31.12 1q86 s VAL 10 CO 0.06 -0.11 0.44 0.42 -3.33 0.00 0.00 175.10 172.57 1q86 s THR 11 N 1.65 0.00 0.17 5.04 -4.23 -1.26 -4.99 115.64 112.02 1q86 s THR 11 Ca 0.05 -1.46 -0.16 0.00 -1.18 0.00 0.00 61.69 58.94 1q86 s THR 11 Cb -0.18 -2.21 0.12 0.00 1.34 0.00 0.00 72.50 71.56 1q86 s THR 11 CO 0.09 -0.01 1.66 -0.33 -0.54 0.00 0.00 174.62 175.49 1q86 h GLU 12 N 2.30 0.01 -0.06 3.99 3.07 -1.99 0.85 114.58 122.75 1q86 h GLU 12 Ca -0.27 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.54 1q86 h GLU 12 Cb 1.25 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1q86 h GLU 12 CO 0.37 0.01 -0.17 -0.22 -1.40 0.00 0.00 179.01 177.61 1q86 h LYS 13 N 0.01 0.10 -0.10 2.33 3.64 -1.98 -1.37 116.57 119.19 1q86 h LYS 13 Ca 0.22 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.44 1q86 h LYS 13 Cb 0.33 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1q86 h LYS 13 CO -0.45 0.27 -0.54 0.00 -2.27 0.00 0.00 179.45 176.46 1q86 h ALA 14 N 1.74 0.88 0.01 5.00 0.00 -1.26 -2.93 119.26 122.70 1q86 h ALA 14 Ca 0.02 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1q86 h ALA 14 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1q86 h ALA 14 CO 0.02 0.69 -0.01 0.52 0.00 0.00 0.00 179.25 180.48 1q86 h MET 15 N 0.23 -0.01 -0.62 0.00 2.86 0.09 -2.32 114.93 115.17 1q86 h MET 15 Ca 0.00 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.77 1q86 h MET 15 Cb 1.03 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.58 1q86 h MET 15 CO 0.09 0.32 -0.07 -0.91 1.06 0.00 0.00 176.91 177.39 1q86 h ASN 16 N -0.35 -0.43 -0.62 1.22 2.35 -1.25 0.30 115.58 116.81 1q86 h ASN 16 Ca -0.00 0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1q86 h ASN 16 Cb 0.34 0.33 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 1q86 h ASN 16 CO 0.00 -0.16 0.28 0.44 -1.65 0.00 0.00 177.43 176.34 1q86 h ASP 17 N 0.06 0.85 0.54 5.81 5.19 -1.47 0.41 116.42 127.80 1q86 h ASP 17 Ca 0.32 -0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1q86 h ASP 17 Cb 0.50 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 39.80 1q86 h ASP 17 CO -0.59 0.74 -0.26 -0.03 -3.12 0.00 0.00 179.24 175.99 1q86 h MET 18 N 0.93 -0.70 -0.53 3.56 4.05 -0.10 0.39 114.93 122.54 1q86 h MET 18 Ca 0.22 0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.59 1q86 h MET 18 Cb 0.14 0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1q86 h MET 18 CO -0.02 -0.39 -0.05 -0.44 0.23 0.00 0.00 176.91 176.23 1q86 h ASP 19 N -1.04 0.96 0.34 1.39 3.32 -0.51 -2.84 116.42 118.04 1q86 h ASP 19 Ca -0.07 -0.33 -0.23 0.00 0.02 0.00 0.00 57.03 56.42 1q86 h ASP 19 Cb 0.63 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1q86 h ASP 19 CO 0.12 1.06 -1.86 0.49 -1.72 0.00 0.00 179.24 177.33 1q86 n PHE 20 N -4.23 0.53 -0.13 4.55 0.99 0.14 -4.60 117.46 114.72 1q86 n PHE 20 Ca 0.01 0.18 0.00 0.00 -0.00 0.00 0.00 57.45 57.64 1q86 n PHE 20 Cb 0.36 -0.99 0.00 0.00 -1.00 0.00 0.00 39.48 37.85 1q86 n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1q86 n GLN 21 N -2.78 0.90 -3.56 -1.08 6.02 0.12 -5.01 117.38 111.99 1q86 n GLN 21 Ca -0.18 -0.91 -0.20 0.00 -0.01 0.00 0.00 57.00 55.71 1q86 n GLN 21 Cb 0.94 -0.94 0.07 0.00 1.02 0.00 0.00 30.24 31.33 1q86 n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1q86 n ASN 22 N -0.22 -2.28 -4.30 1.08 5.15 -0.23 -4.80 115.26 109.65 1q86 n ASN 22 Ca 0.00 -0.69 -0.27 0.00 -0.60 0.00 0.00 54.58 53.02 1q86 n ASN 22 Cb 0.16 -4.71 -0.14 0.00 -0.53 0.00 0.00 39.78 34.56 1q86 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1q86 s LYS 23 N -5.71 1.46 -0.14 1.20 1.02 -0.79 -1.42 119.74 115.36 1q86 s LYS 23 Ca 0.09 -1.08 0.02 0.00 0.02 0.00 0.00 55.97 55.02 1q86 s LYS 23 Cb -0.04 -1.67 0.01 0.00 -0.52 0.00 0.00 37.83 35.61 1q86 s LYS 23 CO 0.76 0.42 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.91 1q86 s LEU 24 N -1.43 2.00 -0.12 3.17 1.43 0.29 -2.88 118.68 121.14 1q86 s LEU 24 Ca 0.09 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 1q86 s LEU 24 Cb -0.09 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 1q86 s LEU 24 CO 0.03 0.04 0.31 -1.10 0.23 0.00 0.00 176.35 175.86 1q86 s GLN 25 N 1.02 4.10 0.15 1.70 -0.21 -1.26 -0.44 119.66 124.73 1q86 s GLN 25 Ca -0.03 0.16 0.06 0.00 0.02 0.00 0.00 55.36 55.58 1q86 s GLN 25 Cb -0.15 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.47 1q86 s GLN 25 CO -0.05 0.38 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.30 1q86 s PHE 26 N -0.00 1.50 -0.37 0.91 0.40 0.94 -1.05 117.98 120.31 1q86 s PHE 26 Ca 0.19 -0.58 -0.14 0.00 -0.60 0.00 0.00 56.93 55.80 1q86 s PHE 26 Cb -0.14 -0.76 -0.00 0.00 0.51 0.00 0.00 43.02 42.63 1q86 s PHE 26 CO 0.06 0.21 0.27 0.00 0.70 0.00 0.00 175.22 176.46 1q86 s ALA 27 N -2.50 3.49 0.31 5.36 0.00 0.06 -0.97 121.76 127.52 1q86 s ALA 27 Ca 0.14 -1.50 0.11 0.00 0.00 0.00 0.00 51.96 50.71 1q86 s ALA 27 Cb -0.03 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 20.27 1q86 s ALA 27 CO 0.04 -1.17 -0.15 0.14 0.00 0.00 0.00 175.76 174.62 1q86 s VAL 28 N 1.73 2.34 0.25 0.00 -7.23 0.37 -0.48 120.40 117.38 1q86 s VAL 28 Ca 0.06 -2.31 -0.30 0.00 -1.81 0.00 0.00 61.98 57.63 1q86 s VAL 28 Cb -0.18 -2.46 -0.10 0.00 0.56 0.00 0.00 36.38 34.20 1q86 s VAL 28 CO 0.10 -0.31 1.41 -0.62 -0.31 0.00 0.00 175.10 175.38 1q86 s ASP 29 N -3.55 6.70 0.00 4.85 -1.08 -0.77 -2.85 116.67 119.96 1q86 s ASP 29 Ca 0.31 2.63 0.08 0.00 -0.52 0.00 0.00 52.55 55.05 1q86 s ASP 29 Cb -0.01 -2.62 0.37 0.00 -1.46 0.00 0.00 42.92 39.20 1q86 s ASP 29 CO 0.16 -0.66 1.16 -0.90 0.52 0.00 0.00 175.17 175.44 1q86 n ASP 30 N 2.23 0.00 -0.36 -0.34 5.75 -1.26 -1.60 116.55 120.97 1q86 n ASP 30 Ca 0.06 0.29 0.12 0.00 -0.01 0.00 0.00 54.79 55.25 1q86 n ASP 30 Cb 0.41 -0.36 0.24 0.00 -1.03 0.00 0.00 41.12 40.38 1q86 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1q86 n ARG 31 N -1.36 1.05 -2.70 0.11 1.74 -1.26 -4.89 116.66 109.34 1q86 n ARG 31 Ca 0.03 -0.73 -0.42 0.00 -0.77 0.00 0.00 57.85 55.96 1q86 n ARG 31 Cb 0.07 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 1q86 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q86 s ALA 32 N -2.46 3.42 0.91 7.54 0.00 -0.62 -5.05 121.76 125.50 1q86 s ALA 32 Ca 0.23 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.40 1q86 s ALA 32 Cb 0.19 -3.43 0.14 0.00 0.00 0.00 0.00 23.12 20.02 1q86 s ALA 32 CO 0.52 -0.63 1.19 -1.54 0.00 0.00 0.00 175.76 175.30 1q86 s SER 33 N 1.10 3.60 0.23 0.00 1.04 -1.26 -4.85 113.70 113.55 1q86 s SER 33 Ca 0.48 0.73 -0.06 0.00 0.48 0.00 0.00 55.95 57.57 1q86 s SER 33 Cb -0.18 -1.14 0.21 0.00 0.10 0.00 0.00 66.02 65.01 1q86 s SER 33 CO 0.17 -2.47 1.80 0.11 0.98 0.00 0.00 173.24 173.82 1q86 h LYS 34 N -1.45 1.15 -0.48 4.02 1.57 -1.96 -1.83 116.57 117.58 1q86 h LYS 34 Ca -0.47 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.10 1q86 h LYS 34 Cb 1.31 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1q86 h LYS 34 CO 0.56 0.93 0.28 0.78 -0.57 0.00 0.00 179.45 181.43 1q86 h GLY 35 N 1.14 0.71 1.27 3.86 0.00 -1.96 0.63 103.07 108.73 1q86 h GLY 35 Ca 0.26 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1q86 h GLY 35 CO -0.02 0.30 0.16 0.83 0.00 0.00 0.00 176.54 177.81 1q86 h GLU 36 N 0.64 0.91 -0.58 4.80 5.08 -1.87 -0.82 114.58 122.74 1q86 h GLU 36 Ca 0.17 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1q86 h GLU 36 Cb 0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1q86 h GLU 36 CO -0.03 0.80 0.05 0.28 -1.00 0.00 0.00 179.01 179.11 1q86 h VAL 37 N 0.88 1.25 0.61 3.13 2.07 -0.81 -2.02 116.25 121.37 1q86 h VAL 37 Ca 0.19 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1q86 h VAL 37 Cb 0.29 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1q86 h VAL 37 CO -0.00 0.38 -0.31 0.00 0.02 0.00 0.00 177.57 177.66 1q86 h ALA 38 N 1.15 -1.21 -0.00 1.67 0.00 0.16 -2.28 119.26 118.74 1q86 h ALA 38 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q86 h ALA 38 Cb 0.46 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1q86 h ALA 38 CO 0.02 -1.16 -0.07 -0.44 0.00 0.00 0.00 179.25 177.60 1q86 h ASP 39 N -0.84 -0.22 -0.88 0.00 3.32 -1.19 -2.17 116.42 114.45 1q86 h ASP 39 Ca -0.08 0.02 0.24 0.00 0.02 0.00 0.00 57.03 57.24 1q86 h ASP 39 Cb 0.65 0.08 -0.16 0.00 0.22 0.00 0.00 39.33 40.12 1q86 h ASP 39 CO 0.13 -0.07 0.02 0.00 -1.72 0.00 0.00 179.24 177.61 1q86 n ALA 40 N -2.58 0.46 -0.11 3.45 0.00 -0.76 0.08 120.51 121.04 1q86 n ALA 40 Ca -0.01 0.94 -0.09 0.00 0.00 0.00 0.00 53.44 54.28 1q86 n ALA 40 Cb 0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 1q86 n ALA 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1q86 h VAL 41 N 0.00 1.14 0.12 0.00 2.07 -0.96 -1.03 116.25 117.60 1q86 h VAL 41 Ca 0.54 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1q86 h VAL 41 Cb 1.11 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1q86 h VAL 41 CO -0.83 0.15 -0.06 -0.33 0.02 0.00 0.00 177.57 176.52 1q86 h GLU 42 N 0.44 -0.16 -0.43 1.57 5.08 0.26 -1.93 114.58 119.41 1q86 h GLU 42 Ca 0.12 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1q86 h GLU 42 Cb 0.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1q86 h GLU 42 CO -0.02 0.06 0.29 0.93 -1.00 0.00 0.00 179.01 179.27 1q86 h GLU 43 N -0.36 0.35 0.01 2.33 5.08 -1.14 1.09 114.58 121.94 1q86 h GLU 43 Ca -0.02 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.09 1q86 h GLU 43 Cb 0.29 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1q86 h GLU 43 CO 0.03 0.23 -1.11 1.96 -1.00 0.00 0.00 179.01 179.11 1q86 h GLN 44 N 0.36 0.03 -0.00 2.33 1.08 -1.02 -3.38 115.11 114.52 1q86 h GLN 44 Ca 0.18 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1q86 h GLN 44 Cb 0.28 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1q86 h GLN 44 CO -0.04 0.97 -0.07 0.66 -0.95 0.00 0.00 178.83 179.39 1q86 n TYR 45 N -3.34 0.00 -2.94 2.96 4.02 -0.74 -5.05 117.16 112.07 1q86 n TYR 45 Ca -0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.85 1q86 n TYR 45 Cb 0.96 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.28 1q86 n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1q86 n ASP 46 N -0.67 -7.50 -1.64 7.72 -0.08 0.37 -5.05 116.55 109.71 1q86 n ASP 46 Ca 0.01 0.02 -0.05 0.00 -1.51 0.00 0.00 54.79 53.26 1q86 n ASP 46 Cb 0.05 -5.09 -0.01 0.00 2.34 0.00 0.00 41.12 38.41 1q86 n ASP 46 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1q86 n VAL 47 N -1.52 0.00 -4.06 5.18 0.24 -1.23 -5.07 118.33 111.87 1q86 n VAL 47 Ca 0.02 -0.60 -0.32 0.00 -2.04 0.00 0.00 64.34 61.40 1q86 n VAL 47 Cb 0.49 0.35 -0.15 0.00 -1.47 0.00 0.00 33.84 33.06 1q86 n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1q86 s THR 48 N -2.52 2.14 -0.46 3.34 2.01 -1.26 -4.72 115.64 114.18 1q86 s THR 48 Ca 0.10 -1.64 -0.27 0.00 0.31 0.00 0.00 61.69 60.18 1q86 s THR 48 Cb -0.00 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.27 1q86 s THR 48 CO 0.07 -0.05 1.04 -0.69 -0.69 0.00 0.00 174.62 174.30 1q86 s VAL 49 N 1.11 4.34 -0.10 3.82 1.01 -1.26 -1.42 120.40 127.89 1q86 s VAL 49 Ca -0.08 1.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.68 1q86 s VAL 49 Cb -0.20 -4.52 -0.22 0.00 0.00 0.00 0.00 36.38 31.43 1q86 s VAL 49 CO -0.05 -0.91 0.86 -0.33 0.00 0.00 0.00 175.10 174.67 1q86 h GLU 50 N 9.10 -0.02 -3.53 2.72 4.39 -0.85 -3.48 114.58 122.92 1q86 h GLU 50 Ca -0.23 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.35 1q86 h GLU 50 Cb 1.07 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.54 1q86 h GLU 50 CO 1.08 0.76 -0.40 -1.14 -1.16 0.00 0.00 179.01 178.15 1q86 s GLN 51 N -2.77 0.67 -0.05 2.33 0.74 -1.10 -4.99 119.66 114.48 1q86 s GLN 51 Ca -0.17 -0.58 0.01 0.00 0.05 0.00 0.00 55.36 54.66 1q86 s GLN 51 Cb -0.01 0.28 0.02 0.00 1.10 0.00 0.00 33.01 34.40 1q86 s GLN 51 CO 0.63 -0.19 -0.03 0.08 -0.55 0.00 0.00 175.29 175.23 1q86 s VAL 52 N -2.37 0.45 -0.05 1.34 1.01 -1.26 -0.38 120.40 119.15 1q86 s VAL 52 Ca -0.07 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1q86 s VAL 52 Cb -0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 1q86 s VAL 52 CO -0.03 0.22 -0.24 0.20 0.00 0.00 0.00 175.10 175.25 1q86 s ASN 53 N 1.11 3.16 0.28 3.32 0.01 -0.82 -4.96 114.94 117.04 1q86 s ASN 53 Ca -0.08 -0.47 0.12 0.00 -0.71 0.00 0.00 52.86 51.71 1q86 s ASN 53 Cb -0.14 -0.72 -0.05 0.00 0.41 0.00 0.00 41.25 40.75 1q86 s ASN 53 CO -0.01 0.27 -0.19 0.42 -1.51 0.00 0.00 177.10 176.08 1q86 s THR 54 N -0.32 2.42 -0.21 1.60 -4.23 -1.26 -0.09 115.64 113.56 1q86 s THR 54 Ca 0.01 -2.39 -0.10 0.00 -1.18 0.00 0.00 61.69 58.04 1q86 s THR 54 Cb -0.13 -2.30 0.08 0.00 1.34 0.00 0.00 72.50 71.49 1q86 s THR 54 CO 0.02 -0.40 0.48 -1.58 -0.54 0.00 0.00 174.62 172.60 1q86 s GLN 55 N -3.52 0.44 -0.60 3.99 0.74 0.15 -4.97 119.66 115.89 1q86 s GLN 55 Ca 0.30 0.99 -0.25 0.00 0.05 0.00 0.00 55.36 56.45 1q86 s GLN 55 Cb -0.04 0.18 0.04 0.00 1.10 0.00 0.00 33.01 34.29 1q86 s GLN 55 CO 0.15 -0.19 1.04 -0.80 -0.55 0.00 0.00 175.29 174.93 1q86 s ASN 56 N 1.92 6.31 0.70 6.67 0.01 -1.26 -0.10 114.94 129.19 1q86 s ASN 56 Ca -0.07 -0.40 -0.12 0.00 -0.71 0.00 0.00 52.86 51.56 1q86 s ASN 56 Cb -0.09 -2.47 0.02 0.00 0.41 0.00 0.00 41.25 39.12 1q86 s ASN 56 CO -0.15 -1.39 1.08 -0.89 -1.51 0.00 0.00 177.10 174.25 1q86 s THR 57 N 4.39 3.52 -1.17 1.60 2.01 0.43 -4.92 115.64 121.50 1q86 s THR 57 Ca 0.32 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1q86 s THR 57 Cb -0.12 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1q86 s THR 57 CO 0.18 -0.57 0.51 0.23 -0.69 0.00 0.00 174.62 174.29 1q86 n MET 58 N -2.96 0.87 0.00 4.92 2.81 -1.26 -1.67 117.12 119.83 1q86 n MET 58 Ca 0.09 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.03 1q86 n MET 58 Cb 0.53 -1.36 0.02 0.00 -0.71 0.00 0.00 33.22 31.70 1q86 n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1q86 n ASP 59 N -0.03 1.55 0.00 7.83 10.43 -1.26 -4.98 116.55 130.09 1q86 n ASP 59 Ca 0.00 -1.28 0.00 0.00 2.57 0.00 0.00 54.79 56.08 1q86 n ASP 59 Cb 0.18 0.18 0.00 0.00 1.84 0.00 0.00 41.12 43.32 1q86 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1q86 n GLY 60 N 0.66 1.22 3.71 0.44 0.00 -0.67 -5.04 105.19 105.50 1q86 n GLY 60 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1q86 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q86 s GLU 61 N -0.56 2.27 -0.13 1.61 2.02 -1.26 -4.90 118.70 117.75 1q86 s GLU 61 Ca 0.00 -1.65 -0.08 0.00 0.02 0.00 0.00 54.97 53.25 1q86 s GLU 61 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 1q86 s GLU 61 CO 0.00 0.07 0.16 0.21 0.02 0.00 0.00 175.26 175.72 1q86 s LYS 62 N -3.83 3.67 -0.09 1.61 2.20 -1.13 -0.43 119.74 121.74 1q86 s LYS 62 Ca 0.38 -0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.88 1q86 s LYS 62 Cb -0.01 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 1q86 s LYS 62 CO 0.22 0.65 -0.10 0.21 -0.36 0.00 0.00 175.35 175.97 1q86 s LYS 63 N -0.67 2.93 -0.10 4.03 2.20 0.86 -0.48 119.74 128.51 1q86 s LYS 63 Ca 0.14 -0.61 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 1q86 s LYS 63 Cb -0.12 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.63 1q86 s LYS 63 CO 0.03 0.51 -0.17 0.00 -0.36 0.00 0.00 175.35 175.35 1q86 s ALA 64 N -0.40 1.75 -0.50 3.13 0.00 -0.14 -0.67 121.76 124.94 1q86 s ALA 64 Ca 0.05 -0.74 -0.13 0.00 0.00 0.00 0.00 51.96 51.14 1q86 s ALA 64 Cb -0.12 -0.76 0.12 0.00 0.00 0.00 0.00 23.12 22.35 1q86 s ALA 64 CO 0.02 0.09 0.41 0.08 0.00 0.00 0.00 175.76 176.36 1q86 s VAL 65 N 0.69 4.76 -0.16 0.00 1.01 0.88 -0.04 120.40 127.54 1q86 s VAL 65 Ca -0.12 -1.55 -0.12 0.00 0.00 0.00 0.00 61.98 60.18 1q86 s VAL 65 Cb -0.16 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1q86 s VAL 65 CO 0.03 -0.78 0.24 -0.69 0.00 0.00 0.00 175.10 173.90 1q86 s VAL 66 N 1.50 5.34 -0.19 2.92 1.01 0.42 -1.94 120.40 129.45 1q86 s VAL 66 Ca 0.04 0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 1q86 s VAL 66 Cb -0.27 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1q86 s VAL 66 CO 0.02 0.44 0.05 -0.60 0.00 0.00 0.00 175.10 175.01 1q86 s ARG 67 N 0.20 3.86 0.50 2.72 3.52 0.49 0.10 118.95 130.35 1q86 s ARG 67 Ca 0.14 -0.40 -0.04 0.00 -0.13 0.00 0.00 55.73 55.31 1q86 s ARG 67 Cb -0.12 -3.20 -0.01 0.00 -1.56 0.00 0.00 34.95 30.05 1q86 s ARG 67 CO 0.03 0.16 0.78 -0.51 -0.81 0.00 0.00 175.30 174.95 1q86 s LEU 68 N 0.66 3.53 0.54 -0.88 1.43 -0.50 -0.19 118.68 123.27 1q86 s LEU 68 Ca 0.03 0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 53.62 1q86 s LEU 68 Cb -0.13 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 1q86 s LEU 68 CO 0.02 -0.75 1.02 -0.94 0.23 0.00 0.00 176.35 175.92 1q86 s SER 69 N -4.19 6.28 0.52 2.29 1.04 -0.51 -4.67 113.70 114.46 1q86 s SER 69 Ca 0.49 1.68 0.19 0.00 0.48 0.00 0.00 55.95 58.80 1q86 s SER 69 Cb -0.10 -2.52 1.04 0.00 0.10 0.00 0.00 66.02 64.54 1q86 s SER 69 CO 0.43 -0.82 1.54 -0.33 0.98 0.00 0.00 173.24 175.03 1q86 h GLU 70 N 0.76 0.00 -0.30 4.02 5.08 -1.97 0.49 114.58 122.66 1q86 h GLU 70 Ca -0.47 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.74 1q86 h GLU 70 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1q86 h GLU 70 CO 0.60 0.00 -0.41 0.22 -1.00 0.00 0.00 179.01 178.42 1q86 h ASP 71 N 0.00 0.88 -2.43 1.42 1.82 -1.96 -3.45 116.42 112.71 1q86 h ASP 71 Ca 0.00 -0.50 -0.46 0.00 -0.39 0.00 0.00 57.03 55.68 1q86 h ASP 71 Cb 0.82 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.59 1q86 h ASP 71 CO 0.00 1.21 -0.27 -1.81 -1.61 0.00 0.00 179.24 176.76 1q86 s ASP 72 N -6.76 6.14 -0.18 2.28 1.01 0.17 -5.11 116.67 114.24 1q86 s ASP 72 Ca -0.12 0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.34 1q86 s ASP 72 Cb 0.10 -1.73 0.04 0.00 1.01 0.00 0.00 42.92 42.34 1q86 s ASP 72 CO 0.86 -0.34 -0.09 -0.62 0.21 0.00 0.00 175.17 175.19 1q86 s ASP 73 N -4.08 3.04 0.10 0.27 -1.08 -1.26 -4.66 116.67 108.99 1q86 s ASP 73 Ca 0.41 -0.73 -0.31 0.00 -0.52 0.00 0.00 52.55 51.40 1q86 s ASP 73 Cb -0.09 -1.08 -0.13 0.00 -1.46 0.00 0.00 42.92 40.16 1q86 s ASP 73 CO 0.34 -0.15 1.60 0.00 0.52 0.00 0.00 175.17 177.48 1q86 h ALA 74 N 8.05 -0.77 -0.97 3.66 0.00 -1.84 -1.69 119.26 125.70 1q86 h ALA 74 Ca -0.28 -0.11 0.31 0.00 0.00 0.00 0.00 54.91 54.83 1q86 h ALA 74 Cb 1.11 0.56 -0.17 0.00 0.00 0.00 0.00 17.79 19.29 1q86 h ALA 74 CO 0.45 -0.98 0.28 1.96 0.00 0.00 0.00 179.25 180.96 1q86 h GLN 75 N -0.73 0.08 -0.03 0.00 4.20 -1.93 -0.59 115.11 116.11 1q86 h GLN 75 Ca -0.02 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1q86 h GLN 75 Cb 0.68 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.45 1q86 h GLN 75 CO -0.10 0.06 -0.38 0.93 -0.67 0.00 0.00 178.83 178.67 1q86 h GLU 76 N 0.09 0.31 -0.30 1.46 5.08 -1.88 -2.06 114.58 117.28 1q86 h GLU 76 Ca 0.67 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.78 1q86 h GLU 76 Cb 1.54 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.82 1q86 h GLU 76 CO -0.78 0.97 0.05 0.28 -1.00 0.00 0.00 179.01 178.52 1q86 h VAL 77 N -0.23 0.84 -0.58 3.13 2.07 -0.24 -2.46 116.25 118.78 1q86 h VAL 77 Ca -0.04 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1q86 h VAL 77 Cb 1.07 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1q86 h VAL 77 CO 0.08 0.03 0.21 0.00 0.02 0.00 0.00 177.57 177.90 1q86 h ALA 78 N 1.23 0.76 -0.15 1.67 0.00 -1.27 -3.09 119.26 118.41 1q86 h ALA 78 Ca 0.14 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1q86 h ALA 78 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1q86 h ALA 78 CO -0.20 0.40 0.38 0.66 0.00 0.00 0.00 179.25 180.49 1q86 h SER 79 N 0.81 0.00 0.14 0.00 4.64 -0.87 -1.27 113.55 117.00 1q86 h SER 79 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1q86 h SER 79 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1q86 h SER 79 CO -0.01 0.00 -0.04 -2.11 -0.87 0.00 0.00 176.83 173.80 1q86 n ARG 80 N -3.19 1.06 0.00 4.77 1.85 -1.17 -5.10 116.66 114.88 1q86 n ARG 80 Ca 0.01 -0.35 0.00 0.00 -1.00 0.00 0.00 57.85 56.52 1q86 n ARG 80 Cb 0.47 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.39 1q86 n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06