#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s ASP 2 N 0.00 3.92 -0.10 3.42 -1.08 -1.26 -4.98 116.67 116.59 1q81 s ASP 2 Ca 0.00 -1.42 0.19 0.00 -0.52 0.00 0.00 52.55 50.80 1q81 s ASP 2 Cb 0.00 -1.08 0.70 0.00 -1.46 0.00 0.00 42.92 41.09 1q81 s ASP 2 CO 0.00 -0.32 1.61 0.18 0.52 0.00 0.00 175.17 177.16 1q81 n LEU 3 N 4.71 4.62 0.22 -1.34 4.77 -1.26 -4.44 117.00 124.27 1q81 n LEU 3 Ca -0.06 -2.39 0.05 0.00 -0.03 0.00 0.00 56.01 53.58 1q81 n LEU 3 Cb 0.44 -0.56 0.50 0.00 -2.33 0.00 0.00 43.42 41.47 1q81 n LEU 3 CO 0.16 0.84 0.92 0.77 -1.33 0.00 0.00 177.39 178.74 1q81 h SER 4 N 4.04 0.02 0.14 -1.43 4.64 -2.00 -0.72 113.55 118.25 1q81 h SER 4 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1q81 h SER 4 Cb 1.38 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1q81 h SER 4 CO 0.20 0.19 -0.07 0.00 -0.87 0.00 0.00 176.83 176.27 1q81 h ALA 5 N 1.82 -0.19 -0.30 5.18 0.00 -2.01 -2.84 119.26 120.92 1q81 h ALA 5 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1q81 h ALA 5 Cb 0.30 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1q81 h ALA 5 CO 0.02 -0.54 -0.03 1.96 0.00 0.00 0.00 179.25 180.66 1q81 h GLN 6 N -0.32 0.05 -0.48 0.00 7.50 -1.73 -2.44 115.11 117.70 1q81 h GLN 6 Ca -0.02 -0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.18 1q81 h GLN 6 Cb 0.26 -0.01 -0.07 0.00 0.05 0.00 0.00 27.48 27.70 1q81 h GLN 6 CO 0.03 0.03 -0.44 0.87 -1.50 0.00 0.00 178.83 177.83 1q81 h LYS 7 N 0.05 -0.19 -0.79 1.46 1.79 -1.05 0.73 116.57 118.58 1q81 h LYS 7 Ca 0.15 0.01 0.19 0.00 -2.18 0.00 0.00 60.65 58.82 1q81 h LYS 7 Cb 0.21 0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 30.77 1q81 h LYS 7 CO -0.27 -0.13 0.08 -0.09 -1.08 0.00 0.00 179.45 177.96 1q81 h ARG 8 N -0.20 0.14 0.27 3.15 2.43 -1.22 0.30 114.38 119.26 1q81 h ARG 8 Ca 0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1q81 h ARG 8 Cb 0.41 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1q81 h ARG 8 CO -0.55 0.09 -0.13 -0.07 -1.51 0.00 0.00 179.97 177.80 1q81 h LEU 9 N 0.14 -0.31 -0.89 3.80 3.38 -0.25 -2.70 115.31 118.49 1q81 h LEU 9 Ca 0.45 -0.12 0.18 0.00 0.09 0.00 0.00 57.88 58.48 1q81 h LEU 9 Cb 0.82 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.55 1q81 h LEU 9 CO -0.65 -0.06 0.46 0.00 0.09 0.00 0.00 178.44 178.28 1q81 h ALA 10 N 0.10 1.40 -0.69 1.53 0.00 0.15 0.25 119.26 122.01 1q81 h ALA 10 Ca -0.04 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1q81 h ALA 10 Cb 0.41 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1q81 h ALA 10 CO 0.06 -0.15 0.45 0.00 0.00 0.00 0.00 179.25 179.61 1q81 h ALA 11 N 1.62 1.59 0.20 0.00 0.00 -0.29 -1.11 119.26 121.26 1q81 h ALA 11 Ca 0.51 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 55.06 1q81 h ALA 11 Cb 0.82 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.39 1q81 h ALA 11 CO -0.41 0.35 -1.53 0.22 0.00 0.00 0.00 179.25 177.88 1q81 h ASP 12 N 0.85 0.65 -0.63 0.00 1.82 -0.29 0.80 116.42 119.63 1q81 h ASP 12 Ca 0.27 -0.92 -0.05 0.00 -0.39 0.00 0.00 57.03 55.93 1q81 h ASP 12 Cb 0.02 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 39.79 1q81 h ASP 12 CO -0.07 1.71 0.18 1.62 -1.61 0.00 0.00 179.24 181.07 1q81 h VAL 13 N 0.02 1.25 -0.00 2.25 3.04 -0.88 -2.01 116.25 119.91 1q81 h VAL 13 Ca -0.29 -0.88 0.00 0.00 -1.01 0.00 0.00 66.70 64.52 1q81 h VAL 13 Cb 2.04 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 1q81 h VAL 13 CO 0.19 0.33 -0.02 0.18 -1.01 0.00 0.00 177.57 177.24 1q81 n LEU 14 N -4.35 0.02 -3.39 3.16 4.77 -0.43 -4.93 117.00 111.85 1q81 n LEU 14 Ca 0.04 0.45 -0.17 0.00 -0.03 0.00 0.00 56.01 56.29 1q81 n LEU 14 Cb 0.23 -0.46 0.07 0.00 -2.33 0.00 0.00 43.42 40.93 1q81 n LEU 14 CO 0.41 0.01 0.05 -0.67 -1.33 0.00 0.00 177.39 175.85 1q81 n ASP 15 N -1.47 -4.17 -4.04 -1.43 -0.08 -0.76 -5.02 116.55 99.58 1q81 n ASP 15 Ca 0.08 -0.70 -0.10 0.00 -1.51 0.00 0.00 54.79 52.56 1q81 n ASP 15 Cb 0.33 -4.96 -0.08 0.00 2.34 0.00 0.00 41.12 38.74 1q81 n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1q81 s VAL 16 N -3.41 0.05 0.18 5.18 1.01 0.24 -5.03 120.40 118.62 1q81 s VAL 16 Ca 0.23 -1.60 -0.31 0.00 0.00 0.00 0.00 61.98 60.30 1q81 s VAL 16 Cb -0.04 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 1q81 s VAL 16 CO 0.75 -0.24 1.41 -0.83 0.00 0.00 0.00 175.10 176.19 1q81 s GLY 17 N -3.02 2.11 0.45 4.51 0.00 -1.26 -4.47 107.32 105.63 1q81 s GLY 17 Ca 0.23 1.21 0.30 0.00 0.00 0.00 0.00 44.72 46.45 1q81 s GLY 17 CO 0.04 2.31 1.67 0.50 0.00 0.00 0.00 173.10 177.62 1q81 h LYS 18 N 6.01 0.14 0.00 2.90 1.57 -1.91 0.76 116.57 126.03 1q81 h LYS 18 Ca -0.44 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1q81 h LYS 18 Cb 1.21 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1q81 h LYS 18 CO 0.83 0.09 0.00 0.09 -0.57 0.00 0.00 179.45 179.89 1q81 n ASN 19 N -4.56 0.70 0.01 0.86 3.02 -1.26 -2.77 115.26 111.26 1q81 n ASN 19 Ca 0.34 0.68 0.05 0.00 -0.03 0.00 0.00 54.58 55.61 1q81 n ASN 19 Cb 1.32 -0.83 -0.11 0.00 -0.61 0.00 0.00 39.78 39.55 1q81 n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1q81 n ARG 20 N -2.28 0.65 -1.74 3.52 1.74 0.26 -4.94 116.66 113.87 1q81 n ARG 20 Ca 0.02 -0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 1q81 n ARG 20 Cb 0.23 -1.65 0.02 0.00 -1.02 0.00 0.00 32.46 30.04 1q81 n ARG 20 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1q81 n VAL 21 N -2.58 2.79 -4.48 1.55 0.24 -1.11 -0.87 118.33 113.86 1q81 n VAL 21 Ca -0.10 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.34 61.46 1q81 n VAL 21 Cb 0.73 -1.73 -0.17 0.00 -1.47 0.00 0.00 33.84 31.21 1q81 n VAL 21 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1q81 s TRP 22 N -1.20 1.39 -0.14 6.34 -0.00 0.29 -4.85 118.94 120.77 1q81 s TRP 22 Ca 0.62 -0.52 -0.02 0.00 -0.00 0.00 0.00 56.10 56.17 1q81 s TRP 22 Cb -0.47 -1.05 -0.02 0.00 -0.00 0.00 0.00 33.47 31.93 1q81 s TRP 22 CO 0.57 -0.29 -0.06 -0.06 -0.00 0.00 0.00 176.95 177.11 1q81 s PHE 23 N 0.78 2.97 0.08 5.86 0.40 -1.26 -1.38 117.98 125.43 1q81 s PHE 23 Ca -0.13 -0.34 -0.31 0.00 -0.60 0.00 0.00 56.93 55.56 1q81 s PHE 23 Cb -0.15 -1.91 -0.08 0.00 0.51 0.00 0.00 43.02 41.39 1q81 s PHE 23 CO 0.02 -0.03 1.62 1.21 0.70 0.00 0.00 175.22 178.74 1q81 s ASN 24 N 0.23 6.62 0.00 1.36 3.84 -0.45 -4.88 114.94 121.66 1q81 s ASN 24 Ca -0.04 2.47 0.00 0.00 0.21 0.00 0.00 52.86 55.50 1q81 s ASN 24 Cb -0.14 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1q81 s ASN 24 CO 0.03 -0.87 0.87 -2.65 -2.79 0.00 0.00 177.10 171.70 1q81 n PRO 25 N 5.37 0.00 -0.26 0.43 -0.02 -1.26 -1.97 135.00 137.29 1q81 n PRO 25 Ca 0.15 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 62.09 1q81 n PRO 25 Cb 0.40 -1.53 0.22 0.00 -0.02 0.00 0.00 33.50 32.58 1q81 n PRO 25 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1q81 n GLU 26 N -1.37 2.84 -1.41 -0.52 1.02 -1.26 -4.49 120.64 115.44 1q81 n GLU 26 Ca 0.00 -2.29 0.04 0.00 -0.02 0.00 0.00 57.16 54.89 1q81 n GLU 26 Cb 0.03 -1.39 0.04 0.00 -0.02 0.00 0.00 31.44 30.10 1q81 n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q81 n ARG 27 N 0.91 0.19 -0.19 3.49 1.74 -0.83 -4.81 116.66 117.15 1q81 n ARG 27 Ca 0.16 -2.16 0.07 0.00 -0.77 0.00 0.00 57.85 55.16 1q81 n ARG 27 Cb 0.51 -0.19 0.36 0.00 -1.02 0.00 0.00 32.46 32.11 1q81 n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1q81 h GLN 28 N 1.01 0.72 -0.23 5.56 4.20 -1.79 0.28 115.11 124.86 1q81 h GLN 28 Ca -0.20 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 1q81 h GLN 28 Cb 1.80 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.40 1q81 h GLN 28 CO 0.09 0.48 0.10 0.78 -0.67 0.00 0.00 178.83 179.61 1q81 h GLY 29 N 0.75 0.37 0.72 3.46 0.00 -1.94 0.76 103.07 107.18 1q81 h GLY 29 Ca 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1q81 h GLY 29 CO -0.11 0.19 -0.23 -0.55 0.00 0.00 0.00 176.54 175.83 1q81 h ASP 30 N 0.23 -0.56 -0.76 0.19 3.32 -1.70 -2.81 116.42 114.33 1q81 h ASP 30 Ca 0.08 -0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.15 1q81 h ASP 30 Cb 0.16 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1q81 h ASP 30 CO -0.01 -0.21 0.50 0.40 -1.72 0.00 0.00 179.24 178.21 1q81 h ILE 31 N -0.94 0.93 -0.02 0.35 2.04 -0.96 0.58 117.51 119.49 1q81 h ILE 31 Ca -0.07 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1q81 h ILE 31 Cb 0.60 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1q81 h ILE 31 CO 0.11 0.12 0.02 0.00 0.00 0.00 0.00 178.15 178.40 1q81 h ALA 32 N 1.62 1.56 0.00 1.87 0.00 0.66 0.36 119.26 125.32 1q81 h ALA 32 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1q81 h ALA 32 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1q81 h ALA 32 CO -0.13 -0.03 -0.45 -0.25 0.00 0.00 0.00 179.25 178.39 1q81 n ASP 33 N -3.85 0.53 -4.72 0.00 8.00 0.20 -4.84 116.55 111.88 1q81 n ASP 33 Ca -0.03 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 1q81 n ASP 33 Cb 0.11 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 1q81 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q81 s ALA 34 N -3.07 3.58 0.00 2.24 0.00 0.11 -4.86 121.76 119.76 1q81 s ALA 34 Ca 0.09 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1q81 s ALA 34 Cb 0.16 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1q81 s ALA 34 CO 0.68 -0.60 0.00 -0.89 0.00 0.00 0.00 175.76 174.95 1q81 n ILE 35 N 3.66 0.00 -4.05 0.00 2.08 -1.26 -4.90 119.36 114.89 1q81 n ILE 35 Ca 0.10 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.19 1q81 n ILE 35 Cb 0.42 -0.31 -0.05 0.00 -0.75 0.00 0.00 39.64 38.95 1q81 n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1q81 s THR 36 N -1.50 3.42 0.44 1.39 -4.23 -1.26 -4.99 115.64 108.91 1q81 s THR 36 Ca 0.00 -1.59 0.10 0.00 -1.18 0.00 0.00 61.69 59.01 1q81 s THR 36 Cb 0.00 -3.08 0.27 0.00 1.34 0.00 0.00 72.50 71.03 1q81 s THR 36 CO 0.00 -0.23 2.08 0.03 -0.54 0.00 0.00 174.62 175.96 1q81 h ARG 37 N 1.50 0.40 0.47 3.99 3.08 -1.99 -2.58 114.38 119.25 1q81 h ARG 37 Ca -0.45 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 1q81 h ARG 37 Cb 1.25 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1q81 h ARG 37 CO 0.61 0.26 -0.22 1.49 -1.07 0.00 0.00 179.97 181.04 1q81 h GLU 38 N 0.41 -0.60 -1.07 0.04 4.57 -1.99 -0.81 114.58 115.13 1q81 h GLU 38 Ca 0.12 0.04 0.30 0.00 -1.18 0.00 0.00 59.36 58.64 1q81 h GLU 38 Cb -0.03 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.64 1q81 h GLU 38 CO -0.03 -0.30 0.75 -0.44 -1.18 0.00 0.00 179.01 177.81 1q81 h ASP 39 N -0.87 0.11 0.11 1.04 3.32 -1.89 0.13 116.42 118.37 1q81 h ASP 39 Ca -0.06 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1q81 h ASP 39 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1q81 h ASP 39 CO 0.10 0.02 -0.05 0.58 -1.72 0.00 0.00 179.24 178.18 1q81 h VAL 40 N 0.10 1.10 -0.96 -1.35 2.07 -1.06 -1.74 116.25 114.41 1q81 h VAL 40 Ca 0.53 -1.05 0.13 0.00 0.82 0.00 0.00 66.70 67.13 1q81 h VAL 40 Cb 1.92 1.74 -0.08 0.00 -1.52 0.00 0.00 31.29 33.35 1q81 h VAL 40 CO -0.08 0.24 0.61 0.03 0.02 0.00 0.00 177.57 178.40 1q81 h ARG 41 N -0.66 0.87 0.32 1.57 3.08 0.64 0.14 114.38 120.35 1q81 h ARG 41 Ca -0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1q81 h ARG 41 Cb 0.51 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1q81 h ARG 41 CO 0.02 0.58 -0.16 1.49 -1.07 0.00 0.00 179.97 180.84 1q81 h GLU 42 N 0.90 -0.42 0.00 0.04 4.81 -1.04 -0.56 114.58 118.30 1q81 h GLU 42 Ca 0.48 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1q81 h GLU 42 Cb 0.55 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1q81 h GLU 42 CO -0.24 -0.25 0.00 -0.07 -0.73 0.00 0.00 179.01 177.72 1q81 h LEU 43 N -0.48 0.00 0.00 1.64 3.38 -0.33 -1.00 115.31 118.52 1q81 h LEU 43 Ca -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1q81 h LEU 43 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1q81 h LEU 43 CO 0.07 0.00 -0.27 0.58 0.09 0.00 0.00 178.44 178.91 1q81 h VAL 44 N 0.00 1.55 -0.29 1.22 2.07 0.28 -0.98 116.25 120.11 1q81 h VAL 44 Ca 0.00 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.52 1q81 h VAL 44 Cb 0.12 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1q81 h VAL 44 CO 0.00 0.54 0.14 0.44 0.02 0.00 0.00 177.57 178.71 1q81 h ASP 45 N -0.50 0.36 0.41 0.57 3.32 0.17 0.20 116.42 120.94 1q81 h ASP 45 Ca -0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1q81 h ASP 45 Cb 1.04 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1q81 h ASP 45 CO 0.05 0.31 0.00 -0.62 -1.72 0.00 0.00 179.24 177.27 1q81 n GLU 46 N -4.44 0.41 -1.12 3.56 1.02 -0.84 -4.88 120.64 114.36 1q81 n GLU 46 Ca 0.01 0.04 -0.04 0.00 -0.02 0.00 0.00 57.16 57.16 1q81 n GLU 46 Cb 0.11 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 1q81 n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q81 n GLY 47 N 0.81 0.70 0.09 0.62 0.00 0.69 -4.91 105.19 103.18 1q81 n GLY 47 Ca 0.13 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 1q81 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 h ALA 48 N 0.00 0.26 -3.23 4.61 0.00 -1.36 -3.43 119.26 116.11 1q81 h ALA 48 Ca -0.08 -0.86 -0.67 0.00 0.00 0.00 0.00 54.91 53.29 1q81 h ALA 48 Cb 0.28 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 17.69 1q81 h ALA 48 CO 0.12 1.05 -0.83 0.42 0.00 0.00 0.00 179.25 180.01 1q81 s ILE 49 N -2.78 2.40 0.13 0.00 1.01 -0.97 -1.34 121.20 119.66 1q81 s ILE 49 Ca -0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.72 1q81 s ILE 49 Cb 0.09 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1q81 s ILE 49 CO 0.85 0.53 0.12 -1.10 0.00 0.00 0.00 174.94 175.35 1q81 s GLN 50 N 0.68 0.95 -0.22 2.79 -0.21 -0.48 -4.48 119.66 118.70 1q81 s GLN 50 Ca -0.09 -1.32 -0.06 0.00 0.02 0.00 0.00 55.36 53.91 1q81 s GLN 50 Cb -0.16 0.28 -0.03 0.00 1.00 0.00 0.00 33.01 34.10 1q81 s GLN 50 CO 0.02 -0.29 0.04 0.00 -2.12 0.00 0.00 175.29 172.94 1q81 s ALA 51 N -4.00 3.15 1.06 6.09 0.00 -1.26 0.10 121.76 126.90 1q81 s ALA 51 Ca 0.19 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1q81 s ALA 51 Cb 0.06 -1.94 0.22 0.00 0.00 0.00 0.00 23.12 21.47 1q81 s ALA 51 CO -0.01 -0.26 1.07 0.21 0.00 0.00 0.00 175.76 176.77 1q81 s LYS 52 N 1.19 -0.07 -0.02 0.00 2.47 -0.05 -4.97 119.74 118.28 1q81 s LYS 52 Ca 0.04 0.81 -0.15 0.00 -1.56 0.00 0.00 55.97 55.11 1q81 s LYS 52 Cb -0.14 -1.66 -0.05 0.00 -1.46 0.00 0.00 37.83 34.52 1q81 s LYS 52 CO 0.03 -3.14 0.41 -0.51 0.16 0.00 0.00 175.35 172.29 1q81 s ASP 53 N -2.93 6.78 0.17 1.43 1.01 -1.26 -4.94 116.67 116.93 1q81 s ASP 53 Ca 0.67 0.92 -0.28 0.00 0.71 0.00 0.00 52.55 54.57 1q81 s ASP 53 Cb -0.22 -2.25 -0.08 0.00 1.01 0.00 0.00 42.92 41.38 1q81 s ASP 53 CO 0.61 0.28 0.89 -1.59 0.21 0.00 0.00 175.17 175.57 1q81 s LYS 54 N -0.80 4.72 0.67 8.23 -2.85 -1.26 -5.05 119.74 123.41 1q81 s LYS 54 Ca 0.24 1.36 -0.04 0.00 -1.00 0.00 0.00 55.97 56.53 1q81 s LYS 54 Cb -0.16 -3.31 0.07 0.00 -2.06 0.00 0.00 37.83 32.37 1q81 s LYS 54 CO 0.13 0.44 0.95 -1.59 0.10 0.00 0.00 175.35 175.38 1q81 s LYS 55 N -0.79 2.13 0.04 1.78 -2.85 -1.26 -5.10 119.74 113.68 1q81 s LYS 55 Ca 0.41 -0.57 0.01 0.00 -1.00 0.00 0.00 55.97 54.81 1q81 s LYS 55 Cb -0.24 -2.28 -0.03 0.00 -2.06 0.00 0.00 37.83 33.22 1q81 s LYS 55 CO 0.29 -1.18 -0.05 0.20 0.10 0.00 0.00 175.35 174.72 1q81 s GLY 56 N -4.55 0.40 0.35 0.59 0.00 -1.26 -5.13 107.32 97.73 1q81 s GLY 56 Ca 0.61 -0.82 -0.26 0.00 0.00 0.00 0.00 44.72 44.26 1q81 s GLY 56 CO 0.43 -0.89 1.04 -1.31 0.00 0.00 0.00 173.10 172.37 1q81 s ASN 57 N -1.89 6.99 -0.27 1.64 -0.87 -1.26 -4.99 114.94 114.29 1q81 s ASN 57 Ca -0.08 2.07 -0.22 0.00 -1.57 0.00 0.00 52.86 53.06 1q81 s ASN 57 Cb -0.05 -2.60 -0.01 0.00 -0.02 0.00 0.00 41.25 38.57 1q81 s ASN 57 CO -0.03 -0.32 0.73 -0.44 -2.57 0.00 0.00 177.10 174.47 1q81 s SER 58 N -1.38 6.66 -0.25 -1.22 0.01 -1.26 -4.92 113.70 111.34 1q81 s SER 58 Ca 0.53 0.76 0.07 0.00 1.31 0.00 0.00 55.95 58.62 1q81 s SER 58 Cb -0.24 -2.38 0.57 0.00 0.21 0.00 0.00 66.02 64.17 1q81 s SER 58 CO 0.31 -0.49 1.55 0.54 0.41 0.00 0.00 173.24 175.56 1q81 n ARG 59 N 5.94 3.06 0.30 12.44 1.74 -1.26 -4.45 116.66 134.43 1q81 n ARG 59 Ca 0.02 -2.32 -0.12 0.00 -0.77 0.00 0.00 57.85 54.66 1q81 n ARG 59 Cb 0.48 -1.99 -0.06 0.00 -1.02 0.00 0.00 32.46 29.87 1q81 n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1q81 h GLY 60 N 3.17 -0.82 1.20 -0.13 0.00 -2.00 0.07 103.07 104.57 1q81 h GLY 60 Ca 0.21 0.30 0.10 0.00 0.00 0.00 0.00 47.33 47.94 1q81 h GLY 60 CO 0.57 -0.30 0.30 3.21 0.00 0.00 0.00 176.54 180.33 1q81 h ARG 61 N -0.94 0.00 0.00 4.80 3.08 -2.01 0.32 114.38 119.63 1q81 h ARG 61 Ca -0.08 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 1q81 h ARG 61 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1q81 h ARG 61 CO 0.13 0.00 -0.73 0.00 -1.07 0.00 0.00 179.97 178.31 1q81 h ALA 62 N 1.71 0.65 -0.13 0.04 0.00 -1.76 -2.96 119.26 116.81 1q81 h ALA 62 Ca 0.16 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1q81 h ALA 62 Cb 0.77 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1q81 h ALA 62 CO -0.00 0.91 -0.44 0.00 0.00 0.00 0.00 179.25 179.72 1q81 h ARG 63 N 0.00 0.53 0.15 0.00 3.08 0.17 -1.52 114.38 116.78 1q81 h ARG 63 Ca -0.01 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.67 1q81 h ARG 63 Cb 1.41 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.50 1q81 h ARG 63 CO 0.09 1.01 -0.31 0.93 -1.07 0.00 0.00 179.97 180.63 1q81 h GLU 64 N 0.14 -0.53 -0.91 0.04 5.08 -1.43 -1.45 114.58 115.52 1q81 h GLU 64 Ca -0.02 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1q81 h GLU 64 Cb 1.06 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 1q81 h GLU 64 CO 0.09 -0.35 0.55 -0.09 -1.00 0.00 0.00 179.01 178.21 1q81 h ARG 65 N -0.55 0.87 -0.09 2.33 2.43 -1.56 0.10 114.38 117.91 1q81 h ARG 65 Ca 0.02 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1q81 h ARG 65 Cb 0.57 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1q81 h ARG 65 CO -0.16 0.57 0.06 1.96 -1.51 0.00 0.00 179.97 180.89 1q81 h GLN 66 N 0.89 0.00 0.00 0.20 4.20 -0.30 -0.76 115.11 119.34 1q81 h GLN 66 Ca 0.45 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.15 1q81 h GLN 66 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1q81 h GLN 66 CO -0.26 0.00 -0.02 0.87 -0.67 0.00 0.00 178.83 178.76 1q81 h LYS 67 N 0.00 0.01 -0.70 1.46 1.57 -0.02 -2.50 116.57 116.38 1q81 h LYS 67 Ca 0.04 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 1q81 h LYS 67 Cb 0.17 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1q81 h LYS 67 CO -0.00 0.83 0.47 0.87 -0.57 0.00 0.00 179.45 181.04 1q81 h LYS 68 N -0.80 0.46 0.00 3.15 1.79 -0.85 0.64 116.57 120.96 1q81 h LYS 68 Ca -0.00 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1q81 h LYS 68 Cb 0.83 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1q81 h LYS 68 CO 0.00 0.31 -0.46 0.00 -1.08 0.00 0.00 179.45 178.22 1q81 h ARG 69 N 0.48 0.00 0.00 3.15 3.08 -1.19 0.92 114.38 120.81 1q81 h ARG 69 Ca 0.33 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.15 1q81 h ARG 69 Cb 0.66 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 1q81 h ARG 69 CO -0.11 0.08 -1.21 0.00 -1.07 0.00 0.00 179.97 177.66 1q81 h ALA 70 N 1.90 0.49 -0.00 0.04 0.00 -0.78 -3.09 119.26 117.82 1q81 h ALA 70 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1q81 h ALA 70 Cb 1.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1q81 h ALA 70 CO 0.01 1.33 -0.00 1.17 0.00 0.00 0.00 179.25 181.76 1q81 n LYS 71 N -3.25 0.21 0.00 0.00 3.00 0.11 -4.92 118.16 113.31 1q81 n LYS 71 Ca -0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1q81 n LYS 71 Cb 0.97 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.50 1q81 n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q81 n GLY 72 N 1.40 1.27 3.91 3.14 0.00 -0.96 -5.06 105.19 108.88 1q81 n GLY 72 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1q81 n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q81 s HIS 73 N -2.16 2.83 -1.31 1.61 3.76 0.32 -4.43 115.29 115.90 1q81 s HIS 73 Ca 0.00 0.59 -0.00 0.00 -0.15 0.00 0.00 55.06 55.49 1q81 s HIS 73 Cb 0.00 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.28 1q81 s HIS 73 CO 0.00 -1.69 0.70 1.04 -0.85 0.00 0.00 174.74 173.94 1q81 n GLN 74 N -3.19 -4.91 -2.57 1.40 6.02 -1.26 -3.80 117.38 109.07 1q81 n GLN 74 Ca 0.09 0.62 -0.01 0.00 -0.01 0.00 0.00 57.00 57.69 1q81 n GLN 74 Cb 0.61 -5.18 0.07 0.00 1.02 0.00 0.00 30.24 26.76 1q81 n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1q81 n LYS 75 N -4.28 1.37 -2.27 -1.09 5.02 -1.26 -4.93 118.16 110.72 1q81 n LYS 75 Ca -0.29 -2.42 -0.25 0.00 -2.02 0.00 0.00 58.31 53.32 1q81 n LYS 75 Cb 0.67 -0.63 0.08 0.00 -0.02 0.00 0.00 35.03 35.14 1q81 n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1q81 s GLY 76 N -2.54 1.72 0.31 0.72 0.00 -1.26 -4.86 107.32 101.41 1q81 s GLY 76 Ca 0.20 -1.10 0.06 0.00 0.00 0.00 0.00 44.72 43.88 1q81 s GLY 76 CO -0.08 -0.65 1.62 0.00 0.00 0.00 0.00 173.10 173.99 1q81 h ALA 77 N -0.63 1.43 0.00 3.20 0.00 -1.99 0.85 119.26 122.12 1q81 h ALA 77 Ca -0.43 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1q81 h ALA 77 Cb 1.30 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1q81 h ALA 77 CO 0.55 -0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1q81 n GLY 78 N -1.39 -0.59 0.03 0.00 0.00 -1.26 -2.60 105.19 99.39 1q81 n GLY 78 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1q81 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q81 n SER 79 N -0.95 1.40 -4.83 1.61 7.64 0.29 -5.00 113.62 113.79 1q81 n SER 79 Ca 0.13 -1.37 -0.36 0.00 1.01 0.00 0.00 58.87 58.28 1q81 n SER 79 Cb 0.06 -0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 1q81 n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1q81 s ARG 80 N -0.39 3.61 -0.03 1.43 0.52 -1.07 -4.87 118.95 118.14 1q81 s ARG 80 Ca 0.01 -0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1q81 s ARG 80 Cb 0.01 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.23 1q81 s ARG 80 CO 0.01 0.65 -0.03 1.17 0.02 0.00 0.00 175.30 177.12 1q81 n LYS 81 N 2.39 0.08 -2.80 3.54 3.00 -1.26 -5.02 118.16 118.09 1q81 n LYS 81 Ca -0.19 0.02 -0.32 0.00 -0.00 0.00 0.00 58.31 57.82 1q81 n LYS 81 Cb 0.54 -1.06 -0.05 0.00 0.00 0.00 0.00 35.03 34.47 1q81 n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1q81 s GLY 82 N -4.33 2.16 1.15 3.14 0.00 -1.26 -5.05 107.32 103.13 1q81 s GLY 82 Ca -0.04 0.07 -0.18 0.00 0.00 0.00 0.00 44.72 44.57 1q81 s GLY 82 CO 0.08 0.30 0.32 1.17 0.00 0.00 0.00 173.10 174.97 1q81 n LYS 83 N -1.00 -2.38 -0.01 2.90 3.00 -1.26 -4.65 118.16 114.75 1q81 n LYS 83 Ca 0.05 -0.69 -0.13 0.00 -0.00 0.00 0.00 58.31 57.54 1q81 n LYS 83 Cb 0.54 -1.72 -0.10 0.00 0.00 0.00 0.00 35.03 33.75 1q81 n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q81 h ALA 84 N -2.54 -0.02 0.00 3.14 0.00 -1.96 -2.35 119.26 115.52 1q81 h ALA 84 Ca -0.45 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1q81 h ALA 84 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1q81 h ALA 84 CO 0.32 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1q81 n GLY 85 N 0.24 -0.65 0.12 0.00 0.00 -1.26 -1.19 105.19 102.45 1q81 n GLY 85 Ca -0.08 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1q81 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 h ALA 86 N 2.60 0.17 -0.41 4.61 0.00 -1.81 -3.12 119.26 121.31 1q81 h ALA 86 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 54.91 53.75 1q81 h ALA 86 Cb 0.10 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1q81 h ALA 86 CO 0.00 0.72 -0.21 0.00 0.00 0.00 0.00 179.25 179.76 1q81 h ARG 87 N -0.49 0.81 -3.29 0.00 3.08 -0.81 -3.40 114.38 110.28 1q81 h ARG 87 Ca -0.28 -0.33 -0.48 0.00 0.07 0.00 0.00 59.98 58.96 1q81 h ARG 87 Cb 1.61 -0.04 -0.40 0.00 0.08 0.00 0.00 29.97 31.22 1q81 h ARG 87 CO 0.01 0.95 -0.76 -1.14 -1.07 0.00 0.00 179.97 177.96 1q81 s GLN 88 N -4.63 0.32 -0.44 0.04 0.74 -0.33 -5.10 119.66 110.25 1q81 s GLN 88 Ca -0.10 -0.21 -0.27 0.00 0.05 0.00 0.00 55.36 54.83 1q81 s GLN 88 Cb 0.13 -1.88 -0.03 0.00 1.10 0.00 0.00 33.01 32.33 1q81 s GLN 88 CO 0.84 -0.64 1.90 1.21 -0.55 0.00 0.00 175.29 178.06 1q81 s ASN 89 N 2.02 5.50 0.52 6.67 3.84 -1.18 -4.15 114.94 128.16 1q81 s ASN 89 Ca 0.01 0.96 0.32 0.00 0.21 0.00 0.00 52.86 54.36 1q81 s ASN 89 Cb -0.16 -2.52 1.46 0.00 -0.55 0.00 0.00 41.25 39.48 1q81 s ASN 89 CO -0.08 -2.08 1.85 0.77 -2.79 0.00 0.00 177.10 174.76 1q81 h SER 90 N 14.43 0.05 -0.10 -4.21 4.64 -1.93 -0.65 113.55 125.79 1q81 h SER 90 Ca -0.30 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.84 1q81 h SER 90 Cb 1.18 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1q81 h SER 90 CO 1.11 0.01 -0.65 0.50 -0.87 0.00 0.00 176.83 176.93 1q81 h LYS 91 N 0.05 0.62 -0.74 4.77 3.11 -1.97 -2.49 116.57 119.92 1q81 h LYS 91 Ca 0.49 -0.53 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 1q81 h LYS 91 Cb 1.87 0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 33.18 1q81 h LYS 91 CO -0.03 1.15 0.39 1.49 -2.81 0.00 0.00 179.45 179.64 1q81 h GLU 92 N 0.26 1.03 -0.02 1.90 4.81 -1.56 -2.26 114.58 118.75 1q81 h GLU 92 Ca -0.05 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 58.94 1q81 h GLU 92 Cb 1.30 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1q81 h GLU 92 CO 0.13 0.77 -0.56 0.22 -0.73 0.00 0.00 179.01 178.84 1q81 h ASP 93 N 1.03 0.06 1.22 1.04 3.58 -1.28 -2.24 116.42 119.83 1q81 h ASP 93 Ca 0.26 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 1q81 h ASP 93 Cb 0.05 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1q81 h ASP 93 CO -0.04 0.61 -0.36 -0.25 -2.88 0.00 0.00 179.24 176.32 1q81 h TRP 94 N 0.04 0.00 0.00 0.28 2.91 -0.96 -2.04 115.95 116.18 1q81 h TRP 94 Ca -0.00 0.00 -0.24 0.00 1.13 0.00 0.00 58.89 59.78 1q81 h TRP 94 Cb 1.00 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.66 1q81 h TRP 94 CO 0.00 0.36 -0.97 0.93 -1.03 0.00 0.00 178.44 177.73 1q81 h GLU 95 N 0.00 0.50 0.33 2.65 5.08 -1.13 -1.64 114.58 120.37 1q81 h GLU 95 Ca -0.00 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 1q81 h GLU 95 Cb 1.06 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1q81 h GLU 95 CO 0.05 1.17 -0.16 1.03 -1.00 0.00 0.00 179.01 180.10 1q81 h SER 96 N 0.28 -0.38 0.61 1.42 0.87 -1.28 -2.53 113.55 112.54 1q81 h SER 96 Ca -0.09 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1q81 h SER 96 Cb 1.61 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1q81 h SER 96 CO 0.18 -0.13 -0.37 0.03 -0.53 0.00 0.00 176.83 176.00 1q81 h ARG 97 N -0.62 -0.89 -0.26 2.24 3.08 -1.41 -2.51 114.38 114.01 1q81 h ARG 97 Ca -0.05 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1q81 h ARG 97 Cb 0.45 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1q81 h ARG 97 CO 0.07 -0.59 0.18 0.97 -1.07 0.00 0.00 179.97 179.53 1q81 h ILE 98 N -0.92 0.95 0.00 2.04 -0.00 -1.38 -0.32 117.51 117.88 1q81 h ILE 98 Ca -0.07 -0.05 -0.13 0.00 -0.00 0.00 0.00 64.86 64.61 1q81 h ILE 98 Cb 0.75 0.79 -0.02 0.00 -0.00 0.00 0.00 36.82 38.34 1q81 h ILE 98 CO 0.08 0.03 -0.61 0.03 -0.00 0.00 0.00 178.15 177.68 1q81 h ARG 99 N 0.15 0.00 0.18 2.19 3.08 -1.31 -0.10 114.38 118.57 1q81 h ARG 99 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1q81 h ARG 99 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1q81 h ARG 99 CO -0.02 0.61 -0.09 0.00 -1.07 0.00 0.00 179.97 179.40 1q81 h ALA 100 N 1.39 -0.76 -1.22 0.04 0.00 -0.64 -0.78 119.26 117.29 1q81 h ALA 100 Ca -0.01 -0.05 0.35 0.00 0.00 0.00 0.00 54.91 55.20 1q81 h ALA 100 Cb 1.16 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1q81 h ALA 100 CO 0.08 -0.74 0.84 1.96 0.00 0.00 0.00 179.25 181.38 1q81 h GLN 101 N -0.32 0.14 0.05 0.00 4.20 -1.33 0.45 115.11 118.30 1q81 h GLN 101 Ca -0.03 -0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.44 1q81 h GLN 101 Cb 0.19 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1q81 h GLN 101 CO 0.04 0.10 -1.07 0.00 -0.67 0.00 0.00 178.83 177.23 1q81 h ARG 102 N 0.15 0.15 -0.10 1.46 3.08 -0.96 -2.64 114.38 115.53 1q81 h ARG 102 Ca 0.65 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 1q81 h ARG 102 Cb 2.18 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 32.31 1q81 h ARG 102 CO -0.18 1.08 -0.03 1.15 -1.07 0.00 0.00 179.97 180.92 1q81 h THR 103 N 0.05 1.30 0.12 2.04 2.02 0.13 -2.22 112.91 116.35 1q81 h THR 103 Ca -0.07 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.13 1q81 h THR 103 Cb 1.79 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 69.93 1q81 h THR 103 CO 0.16 0.28 -0.38 0.50 0.37 0.00 0.00 175.52 176.45 1q81 h LYS 104 N -0.14 -0.55 -1.00 6.66 1.63 -0.80 -1.36 116.57 121.02 1q81 h LYS 104 Ca 0.02 0.04 0.20 0.00 -0.85 0.00 0.00 60.65 60.06 1q81 h LYS 104 Cb 0.46 0.12 -0.10 0.00 -0.60 0.00 0.00 32.23 32.11 1q81 h LYS 104 CO 0.01 -0.36 0.61 -0.07 -3.45 0.00 0.00 179.45 176.19 1q81 h LEU 105 N -0.57 0.74 -0.76 5.20 3.38 -1.53 -0.30 115.31 121.47 1q81 h LEU 105 Ca -0.01 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1q81 h LEU 105 Cb 0.56 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1q81 h LEU 105 CO -0.19 0.25 0.47 -0.09 0.09 0.00 0.00 178.44 178.97 1q81 h ARG 106 N 0.71 0.87 0.63 1.13 2.43 -0.68 -2.36 114.38 117.11 1q81 h ARG 106 Ca 0.57 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.66 1q81 h ARG 106 Cb 0.96 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1q81 h ARG 106 CO -0.36 0.58 -0.30 0.93 -1.51 0.00 0.00 179.97 179.30 1q81 h GLU 107 N 0.90 -0.82 -1.16 0.20 5.08 -0.01 -2.79 114.58 115.99 1q81 h GLU 107 Ca 0.32 0.06 0.33 0.00 -1.00 0.00 0.00 59.36 59.06 1q81 h GLU 107 Cb 0.07 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 1q81 h GLU 107 CO -0.13 -0.51 0.80 -0.07 -1.00 0.00 0.00 179.01 178.10 1q81 h LEU 108 N -1.16 0.15 0.50 1.33 3.38 -1.40 0.47 115.31 118.60 1q81 h LEU 108 Ca -0.09 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1q81 h LEU 108 Cb 0.68 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1q81 h LEU 108 CO 0.14 0.02 -0.24 -0.09 0.09 0.00 0.00 178.44 178.36 1q81 h ARG 109 N 0.13 -0.65 -0.41 1.13 2.43 -1.32 -0.09 114.38 115.60 1q81 h ARG 109 Ca 0.59 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 1q81 h ARG 109 Cb 2.07 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 31.75 1q81 h ARG 109 CO -0.12 -0.37 0.26 -0.44 -1.51 0.00 0.00 179.97 177.80 1q81 h ASP 110 N -1.09 0.47 0.34 -3.80 3.32 -0.97 0.32 116.42 115.02 1q81 h ASP 110 Ca -0.07 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 1q81 h ASP 110 Cb 0.58 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1q81 h ASP 110 CO 0.11 0.35 -0.28 -0.08 -1.72 0.00 0.00 179.24 177.62 1q81 h GLU 111 N 0.56 0.00 0.00 3.56 4.81 -0.08 -3.47 114.58 119.95 1q81 h GLU 111 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1q81 h GLU 111 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1q81 h GLU 111 CO -0.03 0.28 0.00 0.41 -0.73 0.00 0.00 179.01 178.94 1q81 n GLY 112 N -0.61 2.97 0.42 1.92 0.00 0.11 -4.93 105.19 105.07 1q81 n GLY 112 Ca -0.02 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.23 1q81 n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1q81 h THR 113 N 0.00 0.36 -4.41 2.61 2.02 -1.31 -3.40 112.91 108.77 1q81 h THR 113 Ca 0.00 0.00 -0.64 0.00 0.77 0.00 0.00 66.41 66.54 1q81 h THR 113 Cb 0.00 0.56 -0.28 0.00 -1.74 0.00 0.00 68.15 66.68 1q81 h THR 113 CO 0.00 0.00 -0.87 -0.76 0.37 0.00 0.00 175.52 174.26 1q81 s LEU 114 N -7.52 2.09 -0.02 2.58 1.43 -0.91 -4.99 118.68 111.33 1q81 s LEU 114 Ca -0.04 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.41 1q81 s LEU 114 Cb 0.16 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 1q81 s LEU 114 CO 0.58 0.26 0.51 -0.94 0.23 0.00 0.00 176.35 176.99 1q81 s SER 115 N -0.78 6.87 0.40 2.29 1.04 -1.26 -4.54 113.70 117.72 1q81 s SER 115 Ca 0.09 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1q81 s SER 115 Cb -0.09 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1q81 s SER 115 CO 0.00 0.16 0.75 -1.54 0.98 0.00 0.00 173.24 173.59 1q81 n SER 116 N 2.60 0.00 -0.01 7.02 3.41 -1.26 0.20 113.62 125.58 1q81 n SER 116 Ca -0.09 0.31 -0.16 0.00 -0.26 0.00 0.00 58.87 58.66 1q81 n SER 116 Cb 0.51 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.32 1q81 n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1q81 n SER 117 N -1.84 1.58 -0.05 4.04 3.41 -1.26 -2.48 113.62 117.01 1q81 n SER 117 Ca 0.00 0.28 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 1q81 n SER 117 Cb 0.75 -0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1q81 n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1q81 h GLN 118 N 0.04 0.79 0.82 4.33 4.20 0.19 -1.87 115.11 123.62 1q81 h GLN 118 Ca -0.37 -0.51 -0.04 0.00 0.06 0.00 0.00 58.65 57.78 1q81 h GLN 118 Cb 2.03 0.06 0.01 0.00 0.30 0.00 0.00 27.48 29.88 1q81 h GLN 118 CO 0.08 1.14 -0.39 -0.92 -0.67 0.00 0.00 178.83 178.07 1q81 h TYR 119 N 0.60 -1.02 -0.98 2.96 3.20 -1.37 -1.15 116.97 119.22 1q81 h TYR 119 Ca 0.01 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.97 1q81 h TYR 119 Cb 1.16 0.34 -0.13 0.00 1.54 0.00 0.00 36.73 39.64 1q81 h TYR 119 CO 0.07 -0.63 -0.50 -2.13 -1.64 0.00 0.00 178.16 173.32 1q81 n ARG 120 N -5.19 -0.36 -0.06 1.82 3.00 -1.04 -0.10 116.66 114.74 1q81 n ARG 120 Ca -0.14 1.49 -0.08 0.00 -0.00 0.00 0.00 57.85 59.12 1q81 n ARG 120 Cb 0.43 -2.19 -0.01 0.00 0.00 0.00 0.00 32.46 30.69 1q81 n ARG 120 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1q81 h ASP 121 N 0.00 -0.72 0.28 6.15 1.82 -1.22 -0.39 116.42 122.34 1q81 h ASP 121 Ca 0.22 0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.99 1q81 h ASP 121 Cb 0.47 0.35 0.00 0.00 0.68 0.00 0.00 39.33 40.83 1q81 h ASP 121 CO -0.94 -0.26 -0.14 -0.07 -1.61 0.00 0.00 179.24 176.23 1q81 h LEU 122 N -0.22 -0.32 -0.25 2.28 3.38 0.50 -2.52 115.31 118.17 1q81 h LEU 122 Ca 0.14 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1q81 h LEU 122 Cb 0.44 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1q81 h LEU 122 CO -0.39 -0.23 -0.23 0.22 0.09 0.00 0.00 178.44 177.90 1q81 h TYR 123 N -0.38 -0.72 -1.36 1.13 3.20 -0.07 0.22 116.97 118.99 1q81 h TYR 123 Ca -0.04 0.04 0.39 0.00 3.14 0.00 0.00 58.73 62.26 1q81 h TYR 123 Cb 0.29 0.35 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1q81 h TYR 123 CO -0.06 -0.18 1.01 -0.44 -1.64 0.00 0.00 178.16 176.85 1q81 h ASP 124 N -0.11 0.00 1.06 -2.11 3.32 -0.97 0.89 116.42 118.50 1q81 h ASP 124 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1q81 h ASP 124 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1q81 h ASP 124 CO -0.29 0.00 -0.76 0.11 -1.72 0.00 0.00 179.24 176.58 1q81 h LYS 125 N 0.00 0.00 0.06 3.56 1.57 -0.23 -3.00 116.57 118.52 1q81 h LYS 125 Ca 0.64 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.42 1q81 h LYS 125 Cb 2.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.97 1q81 h LYS 125 CO -0.01 0.00 -0.03 0.00 -0.57 0.00 0.00 179.45 178.85 1q81 h ALA 126 N 2.18 -0.08 -0.10 3.86 0.00 0.30 0.25 119.26 125.68 1q81 h ALA 126 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1q81 h ALA 126 Cb 0.91 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1q81 h ALA 126 CO 0.00 -0.13 0.26 0.78 0.00 0.00 0.00 179.25 180.15 1q81 h GLY 127 N -0.90 0.00 -1.11 0.00 0.00 -1.37 1.36 103.07 101.05 1q81 h GLY 127 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1q81 h GLY 127 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1q81 n GLY 128 N -1.27 0.55 2.80 4.60 0.00 -1.13 -4.93 105.19 105.80 1q81 n GLY 128 Ca -0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 1q81 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 129 N 1.17 -0.14 0.11 -0.02 0.00 0.47 -4.93 105.19 101.84 1q81 n GLY 129 Ca 0.16 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1q81 n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1q81 h GLU 130 N -1.41 0.00 -4.70 1.61 4.39 -0.61 -3.44 114.58 110.41 1q81 h GLU 130 Ca -0.39 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.69 1q81 h GLU 130 Cb 1.26 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 29.55 1q81 h GLU 130 CO 0.40 0.00 -0.83 -0.06 -1.16 0.00 0.00 179.01 177.36 1q81 s PHE 131 N -3.12 2.34 -0.25 4.33 0.40 -1.26 -4.98 117.98 115.44 1q81 s PHE 131 Ca 0.10 -1.39 0.24 0.00 -0.60 0.00 0.00 56.93 55.27 1q81 s PHE 131 Cb 0.12 -1.66 1.17 0.00 0.51 0.00 0.00 43.02 43.16 1q81 s PHE 131 CO 0.62 -0.71 1.73 -0.44 0.70 0.00 0.00 175.22 177.11 1q81 h ASP 132 N 8.01 0.00 -5.62 1.36 3.32 -1.92 -3.46 116.42 118.12 1q81 h ASP 132 Ca -0.36 0.00 0.31 0.00 0.02 0.00 0.00 57.03 57.00 1q81 h ASP 132 Cb 1.12 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.55 1q81 h ASP 132 CO 0.53 0.00 0.80 -0.94 -1.72 0.00 0.00 179.24 177.91 1q81 s SER 133 N -4.23 -0.07 0.12 6.45 1.04 -1.26 -4.97 113.70 110.78 1q81 s SER 133 Ca 0.00 -0.14 -0.20 0.00 0.48 0.00 0.00 55.95 56.09 1q81 s SER 133 Cb 0.08 0.18 -0.06 0.00 0.10 0.00 0.00 66.02 66.32 1q81 s SER 133 CO 0.29 -0.34 1.76 0.58 0.98 0.00 0.00 173.24 176.52 1q81 h VAL 134 N 2.00 1.01 -0.34 5.02 2.07 -1.90 0.13 116.25 124.24 1q81 h VAL 134 Ca -0.28 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.24 1q81 h VAL 134 Cb 1.20 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 1q81 h VAL 134 CO 0.28 0.04 -0.23 0.00 0.02 0.00 0.00 177.57 177.68 1q81 h ALA 135 N 1.09 -0.01 -0.68 1.67 0.00 -1.99 0.55 119.26 119.88 1q81 h ALA 135 Ca 0.08 0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.24 1q81 h ALA 135 Cb 0.01 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1q81 h ALA 135 CO -0.05 -0.62 0.46 0.22 0.00 0.00 0.00 179.25 179.27 1q81 h ASP 136 N -0.18 0.32 0.18 0.00 3.58 -1.78 -0.92 116.42 117.61 1q81 h ASP 136 Ca 0.17 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 1q81 h ASP 136 Cb 0.45 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1q81 h ASP 136 CO -0.45 0.17 -0.09 0.25 -2.88 0.00 0.00 179.24 176.24 1q81 h LEU 137 N 0.34 -0.20 -0.56 2.28 5.85 0.19 -2.53 115.31 120.68 1q81 h LEU 137 Ca 0.33 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.83 1q81 h LEU 137 Cb 0.82 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 1q81 h LEU 137 CO -0.09 0.27 0.11 -0.33 -0.34 0.00 0.00 178.44 178.06 1q81 h GLU 138 N -0.75 0.23 -0.09 1.25 5.08 0.18 0.14 114.58 120.62 1q81 h GLU 138 Ca -0.02 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1q81 h GLU 138 Cb 0.51 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1q81 h GLU 138 CO 0.04 0.15 -0.19 0.00 -1.00 0.00 0.00 179.01 178.01 1q81 h ARG 139 N 0.24 -0.26 -0.86 2.33 3.08 -1.22 -1.52 114.38 116.17 1q81 h ARG 139 Ca 0.29 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.43 1q81 h ARG 139 Cb 0.41 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 1q81 h ARG 139 CO -0.38 -0.17 0.52 -0.92 -1.07 0.00 0.00 179.97 177.95 1q81 h TYR 140 N -0.27 0.96 -0.67 3.04 3.20 -0.91 -2.01 116.97 120.31 1q81 h TYR 140 Ca 0.08 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.10 1q81 h TYR 140 Cb 0.39 -0.30 -0.09 0.00 1.54 0.00 0.00 36.73 38.27 1q81 h TYR 140 CO -0.28 0.44 0.22 0.82 -1.64 0.00 0.00 178.16 177.72 1q81 h ILE 141 N 0.91 0.68 0.00 1.81 2.04 0.03 -2.27 117.51 120.70 1q81 h ILE 141 Ca 0.40 -0.13 -0.15 0.00 1.00 0.00 0.00 64.86 65.98 1q81 h ILE 141 Cb 0.28 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 1q81 h ILE 141 CO -0.21 0.07 -0.22 0.47 0.00 0.00 0.00 178.15 178.25 1q81 n ASP 142 N -5.04 4.32 0.00 1.72 8.00 -0.76 -5.11 116.55 119.68 1q81 n ASP 142 Ca 0.11 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.31 1q81 n ASP 142 Cb 0.35 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 1q81 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81