#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3da7 s LYS 2 N 0.00 3.62 -0.09 3.17 2.47 -1.25 -4.91 119.74 122.75 3da7 s LYS 2 Ca 0.00 2.36 0.00 0.00 -1.56 0.00 0.00 55.97 56.77 3da7 s LYS 2 Cb 0.00 -2.60 0.02 0.00 -1.46 0.00 0.00 37.83 33.80 3da7 s LYS 2 CO 0.00 -0.85 -0.07 0.21 0.16 0.00 0.00 175.35 174.80 3da7 s LYS 3 N -2.51 1.34 -0.21 4.03 2.20 -1.26 -1.83 119.74 121.50 3da7 s LYS 3 Ca 0.62 -0.22 -0.06 0.00 -0.36 0.00 0.00 55.97 55.95 3da7 s LYS 3 Cb -0.43 -1.35 -0.03 0.00 -1.51 0.00 0.00 37.83 34.52 3da7 s LYS 3 CO 0.54 -0.17 0.04 0.00 -0.36 0.00 0.00 175.35 175.40 3da7 s ALA 4 N 1.36 3.17 -0.09 3.13 0.00 -0.46 -4.97 121.76 123.91 3da7 s ALA 4 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3da7 s ALA 4 Cb -0.14 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 3da7 s ALA 4 CO -0.04 -0.18 -0.08 0.08 0.00 0.00 0.00 175.76 175.54 3da7 s VAL 5 N 1.06 3.55 -0.14 0.00 1.01 -1.26 -1.01 120.40 123.60 3da7 s VAL 5 Ca 0.03 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3da7 s VAL 5 Cb -0.14 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.79 3da7 s VAL 5 CO 0.03 0.57 -0.17 -0.63 0.00 0.00 0.00 175.10 174.90 3da7 s ILE 6 N -0.44 1.69 -0.95 2.22 1.01 -0.51 -4.93 121.20 119.29 3da7 s ILE 6 Ca 0.06 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 3da7 s ILE 6 Cb -0.12 -1.55 0.14 0.00 0.01 0.00 0.00 42.46 40.94 3da7 s ILE 6 CO 0.02 0.48 1.13 0.20 0.00 0.00 0.00 174.94 176.77 3da7 s ASN 7 N 1.17 6.69 0.28 3.58 -0.87 -1.26 -0.56 114.94 123.97 3da7 s ASN 7 Ca -0.01 -2.20 -0.00 0.00 -1.57 0.00 0.00 52.86 49.08 3da7 s ASN 7 Cb -0.14 -2.38 0.66 0.00 -0.02 0.00 0.00 41.25 39.36 3da7 s ASN 7 CO -0.06 -0.99 1.62 1.23 -2.57 0.00 0.00 177.10 176.32 3da7 h GLY 8 N 10.13 1.19 2.00 0.66 0.00 -0.76 -0.17 103.07 116.12 3da7 h GLY 8 Ca 0.17 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3da7 h GLY 8 CO 1.09 -0.41 0.00 -1.84 0.00 0.00 0.00 176.54 175.39 3da7 n GLU 9 N -5.35 0.10 0.00 4.80 0.00 -1.26 -1.88 120.64 117.05 3da7 n GLU 9 Ca 0.20 0.40 0.12 0.00 0.00 0.00 0.00 57.16 57.88 3da7 n GLU 9 Cb 0.66 -1.72 0.11 0.00 0.00 0.00 0.00 31.44 30.50 3da7 n GLU 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3da7 n GLN 10 N -1.92 0.86 -2.06 3.44 6.02 -0.08 -4.94 117.38 118.71 3da7 n GLN 10 Ca 0.02 -0.65 -0.41 0.00 -0.01 0.00 0.00 57.00 55.94 3da7 n GLN 10 Cb 0.16 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 3da7 n GLN 10 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3da7 s ILE 11 N -2.59 2.82 -0.12 5.09 1.01 -0.79 -4.91 121.20 121.72 3da7 s ILE 11 Ca 0.18 0.67 0.20 0.00 0.00 0.00 0.00 60.65 61.70 3da7 s ILE 11 Cb 0.18 -3.43 -0.29 0.00 0.01 0.00 0.00 42.46 38.94 3da7 s ILE 11 CO 0.60 0.10 0.26 0.54 0.00 0.00 0.00 174.94 176.44 3da7 n ARG 12 N 2.60 0.70 -3.87 2.79 1.74 -1.26 -4.88 116.66 114.49 3da7 n ARG 12 Ca 0.07 -0.10 0.01 0.00 -0.77 0.00 0.00 57.85 57.07 3da7 n ARG 12 Cb 0.41 -1.51 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 3da7 n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3da7 s SER 13 N -4.98 -0.02 0.37 0.55 1.04 -1.22 -4.89 113.70 104.57 3da7 s SER 13 Ca -0.09 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.13 3da7 s SER 13 Cb 0.10 0.21 0.73 0.00 0.10 0.00 0.00 66.02 67.15 3da7 s SER 13 CO 0.85 -0.41 2.03 -0.29 0.98 0.00 0.00 173.24 176.40 3da7 h ILE 14 N 2.00 1.14 -0.30 -1.02 6.09 -1.81 -1.10 117.51 122.50 3da7 h ILE 14 Ca -0.25 -0.27 -0.03 0.00 -1.37 0.00 0.00 64.86 62.93 3da7 h ILE 14 Cb 1.20 0.37 -0.01 0.00 0.47 0.00 0.00 36.82 38.84 3da7 h ILE 14 CO 0.31 0.14 0.05 0.28 -3.07 0.00 0.00 178.15 175.86 3da7 h SER 15 N 0.72 0.47 -0.55 2.19 0.02 -1.95 -1.17 113.55 113.29 3da7 h SER 15 Ca 0.19 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3da7 h SER 15 Cb -0.07 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 3da7 h SER 15 CO -0.04 0.61 0.22 -0.78 -1.14 0.00 0.00 176.83 175.69 3da7 h ASP 16 N 0.32 0.79 -0.54 3.07 -0.00 -1.79 0.15 116.42 118.42 3da7 h ASP 16 Ca 0.09 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.03 56.98 3da7 h ASP 16 Cb 0.33 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 39.43 3da7 h ASP 16 CO 0.00 0.73 0.23 0.25 -0.00 0.00 0.00 179.24 180.45 3da7 h LEU 17 N 0.85 0.74 -0.85 2.28 5.85 -1.01 -0.90 115.31 122.27 3da7 h LEU 17 Ca 0.20 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3da7 h LEU 17 Cb 0.19 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3da7 h LEU 17 CO -0.02 0.69 0.06 0.45 -0.34 0.00 0.00 178.44 179.28 3da7 h HIS 18 N 0.74 0.97 -0.52 1.25 3.86 -0.17 -1.47 115.15 119.80 3da7 h HIS 18 Ca 0.18 -0.13 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 3da7 h HIS 18 Cb 0.17 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3da7 h HIS 18 CO 0.00 0.85 -0.06 1.96 0.86 0.00 0.00 177.93 181.54 3da7 h GLN 19 N 0.86 0.94 -0.57 2.45 4.20 -0.58 -0.15 115.11 122.25 3da7 h GLN 19 Ca 0.17 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.58 3da7 h GLN 19 Cb 0.43 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 3da7 h GLN 19 CO 0.01 0.97 0.37 1.15 -0.67 0.00 0.00 178.83 180.66 3da7 h THR 20 N 0.85 1.13 -0.28 -0.54 2.02 -0.91 -1.62 112.91 113.56 3da7 h THR 20 Ca 0.15 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.08 3da7 h THR 20 Cb 0.59 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3da7 h THR 20 CO 0.04 0.14 0.15 -0.07 0.37 0.00 0.00 175.52 176.14 3da7 h LEU 21 N 0.76 0.22 -0.98 2.58 3.38 -0.95 0.15 115.31 120.47 3da7 h LEU 21 Ca 0.21 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.33 3da7 h LEU 21 Cb -0.07 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 3da7 h LEU 21 CO -0.06 0.17 0.60 0.50 0.09 0.00 0.00 178.44 179.74 3da7 h LYS 22 N 0.31 0.88 -0.01 1.13 3.64 -0.78 0.14 116.57 121.88 3da7 h LYS 22 Ca 0.11 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3da7 h LYS 22 Cb 0.03 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3da7 h LYS 22 CO -0.07 0.58 -0.24 -0.22 -2.27 0.00 0.00 179.45 177.24 3da7 h LYS 23 N 0.91 0.18 -0.10 1.90 1.63 -0.79 -0.23 116.57 120.06 3da7 h LYS 23 Ca 0.50 -0.18 -0.13 0.00 -0.85 0.00 0.00 60.65 60.00 3da7 h LYS 23 Cb 0.57 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 3da7 h LYS 23 CO -0.29 0.90 -0.50 0.93 -3.45 0.00 0.00 179.45 177.04 3da7 h GLU 24 N -0.48 0.27 -0.02 1.90 4.39 -0.45 -2.86 114.58 117.33 3da7 h GLU 24 Ca -0.03 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3da7 h GLU 24 Cb 0.97 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3da7 h GLU 24 CO 0.05 0.71 -0.28 1.28 -1.16 0.00 0.00 179.01 179.61 3da7 n LEU 25 N -3.96 1.99 -3.53 1.33 4.77 0.47 -4.67 117.00 113.39 3da7 n LEU 25 Ca -0.02 -0.68 -0.19 0.00 -0.03 0.00 0.00 56.01 55.09 3da7 n LEU 25 Cb 0.54 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.67 3da7 n LEU 25 CO 0.43 0.35 0.02 0.00 -1.33 0.00 0.00 177.39 176.87 3da7 n ALA 26 N 0.18 -2.10 -1.98 -1.18 0.00 -0.72 -4.94 120.51 109.77 3da7 n ALA 26 Ca 0.12 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 3da7 n ALA 26 Cb 0.46 -2.71 -0.02 0.00 0.00 0.00 0.00 19.45 17.18 3da7 n ALA 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3da7 s LEU 27 N -6.38 3.61 0.75 0.00 1.43 -0.18 -5.02 118.68 112.90 3da7 s LEU 27 Ca 0.08 1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 54.39 3da7 s LEU 27 Cb -0.02 -4.31 0.02 0.00 0.03 0.00 0.00 46.19 41.92 3da7 s LEU 27 CO 0.77 -0.58 0.92 -2.65 0.23 0.00 0.00 176.35 175.04 3da7 n PRO 28 N -1.77 0.36 0.03 1.29 -0.02 -1.26 -4.88 135.00 128.74 3da7 n PRO 28 Ca 0.05 0.18 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 3da7 n PRO 28 Cb 0.54 -2.19 0.57 0.00 -0.02 0.00 0.00 33.50 32.40 3da7 n PRO 28 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3da7 h GLU 29 N -0.49 0.23 -0.38 -0.52 4.57 -1.98 -1.27 114.58 114.73 3da7 h GLU 29 Ca -0.47 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3da7 h GLU 29 Cb 1.33 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3da7 h GLU 29 CO 0.45 0.15 0.00 2.48 -1.18 0.00 0.00 179.01 180.91 3da7 n TYR 30 N -4.46 0.43 -1.71 0.92 0.18 -1.26 -4.94 117.16 106.32 3da7 n TYR 30 Ca 0.06 -0.19 -0.61 0.00 1.88 0.00 0.00 57.90 59.04 3da7 n TYR 30 Cb 0.33 -0.05 -0.08 0.00 -0.38 0.00 0.00 39.34 39.15 3da7 n TYR 30 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 3da7 n TYR 31 N 0.25 1.82 0.66 -3.48 9.36 -0.48 -4.83 117.16 120.45 3da7 n TYR 31 Ca 0.09 0.81 0.09 0.00 3.32 0.00 0.00 57.90 62.21 3da7 n TYR 31 Cb 0.29 -2.34 0.40 0.00 -0.63 0.00 0.00 39.34 37.06 3da7 n TYR 31 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3da7 n GLY 32 N 3.85 -1.08 3.75 2.98 0.00 -1.26 -4.90 105.19 108.52 3da7 n GLY 32 Ca 0.27 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 3da7 n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3da7 n GLU 33 N -1.47 -4.92 -4.06 1.61 1.02 -1.26 -4.97 120.64 106.60 3da7 n GLU 33 Ca 0.05 0.60 -0.11 0.00 -0.02 0.00 0.00 57.16 57.68 3da7 n GLU 33 Cb 0.20 -5.19 -0.06 0.00 -0.02 0.00 0.00 31.44 26.38 3da7 n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3da7 s ASN 34 N -4.20 0.26 0.28 1.62 2.20 -1.26 -4.94 114.94 108.90 3da7 s ASN 34 Ca 0.10 -1.18 0.07 0.00 -0.94 0.00 0.00 52.86 50.92 3da7 s ASN 34 Cb -0.05 0.58 0.39 0.00 -2.00 0.00 0.00 41.25 40.17 3da7 s ASN 34 CO 0.82 -1.15 1.65 -0.07 -2.94 0.00 0.00 177.10 175.41 3da7 h LEU 35 N 2.27 0.17 -0.18 3.54 3.38 -1.98 -1.32 115.31 121.19 3da7 h LEU 35 Ca -0.28 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.39 3da7 h LEU 35 Cb 1.25 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.96 3da7 h LEU 35 CO 0.39 0.66 -0.70 0.44 0.09 0.00 0.00 178.44 179.33 3da7 h ASP 36 N 0.13 0.93 -0.42 -0.43 3.32 -1.99 -1.34 116.42 116.62 3da7 h ASP 36 Ca 0.00 -0.61 0.01 0.00 0.02 0.00 0.00 57.03 56.45 3da7 h ASP 36 Cb 0.96 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3da7 h ASP 36 CO 0.08 1.38 0.27 0.00 -1.72 0.00 0.00 179.24 179.25 3da7 h ALA 37 N 0.57 0.53 -0.27 3.45 0.00 -1.90 -1.77 119.26 119.88 3da7 h ALA 37 Ca -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3da7 h ALA 37 Cb 1.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3da7 h ALA 37 CO 0.15 -0.04 0.14 1.25 0.00 0.00 0.00 179.25 180.76 3da7 h LEU 38 N 0.55 0.22 -1.03 0.00 5.85 -1.12 -1.14 115.31 118.63 3da7 h LEU 38 Ca 0.16 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.95 3da7 h LEU 38 Cb -0.04 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 3da7 h LEU 38 CO -0.05 0.17 0.64 -0.25 -0.34 0.00 0.00 178.44 178.61 3da7 h TRP 39 N 0.30 1.18 -0.65 1.25 2.91 -1.05 0.28 115.95 120.17 3da7 h TRP 39 Ca 0.11 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.08 3da7 h TRP 39 Cb 0.02 -0.39 -0.03 0.00 -0.51 0.00 0.00 29.16 28.25 3da7 h TRP 39 CO -0.09 0.62 0.09 0.22 -1.03 0.00 0.00 178.44 178.25 3da7 h ASP 40 N 1.16 1.03 -0.03 2.65 3.58 -0.67 -1.72 116.42 122.42 3da7 h ASP 40 Ca 0.42 -0.25 -0.20 0.00 0.42 0.00 0.00 57.03 57.42 3da7 h ASP 40 Cb 0.16 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.94 3da7 h ASP 40 CO -0.17 1.02 -0.73 0.00 -2.88 0.00 0.00 179.24 176.49 3da7 h LEU 42 N 0.47 0.44 0.00 0.00 3.38 -0.80 0.53 115.31 119.33 3da7 h LEU 42 Ca -0.04 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3da7 h LEU 42 Cb 1.34 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3da7 h LEU 42 CO 0.14 0.71 -1.48 0.35 0.09 0.00 0.00 178.44 178.26 3da7 n THR 43 N -4.11 0.11 -2.69 0.22 -2.24 -0.66 -4.48 114.28 100.43 3da7 n THR 43 Ca -0.01 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 3da7 n THR 43 Cb 0.42 0.19 0.05 0.00 -2.10 0.00 0.00 70.33 68.89 3da7 n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3da7 n GLY 44 N 1.32 1.53 1.24 3.38 0.00 0.02 -4.96 105.19 107.72 3da7 n GLY 44 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3da7 n GLY 44 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3da7 n TRP 45 N -0.17 -3.78 -1.90 1.61 -0.00 -0.86 -4.77 117.44 107.58 3da7 n TRP 45 Ca 0.07 0.93 -0.40 0.00 -0.00 0.00 0.00 57.50 58.10 3da7 n TRP 45 Cb 0.82 2.53 0.00 0.00 -0.00 0.00 0.00 31.31 34.67 3da7 n TRP 45 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 3da7 s VAL 46 N -1.99 2.28 -0.11 5.87 1.01 0.12 -5.00 120.40 122.58 3da7 s VAL 46 Ca 0.00 0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 3da7 s VAL 46 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3da7 s VAL 46 CO 0.00 0.05 0.20 -1.61 0.00 0.00 0.00 175.10 173.74 3da7 s GLU 47 N -2.25 3.70 0.31 2.72 0.41 -1.26 -4.92 118.70 117.41 3da7 s GLU 47 Ca 0.57 -0.02 0.08 0.00 -0.41 0.00 0.00 54.97 55.19 3da7 s GLU 47 Cb -0.42 -3.25 -0.04 0.00 -1.78 0.00 0.00 34.13 28.64 3da7 s GLU 47 CO 0.56 0.65 0.16 0.71 -0.49 0.00 0.00 175.26 176.85 3da7 s TYR 48 N -0.71 2.82 0.64 1.61 2.02 -1.26 -4.51 117.35 117.95 3da7 s TYR 48 Ca 0.16 -0.29 -0.17 0.00 -0.37 0.00 0.00 57.07 56.40 3da7 s TYR 48 Cb -0.13 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 3da7 s TYR 48 CO 0.05 0.38 1.19 -2.14 -1.57 0.00 0.00 175.55 173.46 3da7 s PRO 49 N -3.85 2.75 -0.04 -1.71 0.02 -1.26 -5.04 135.00 125.88 3da7 s PRO 49 Ca 0.36 1.72 0.03 0.00 0.02 0.00 0.00 61.00 63.13 3da7 s PRO 49 Cb -0.05 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3da7 s PRO 49 CO 0.23 -1.35 -0.12 -1.17 -0.33 0.00 0.00 177.00 174.27 3da7 s LEU 50 N -4.47 1.77 -0.29 -5.54 2.96 0.10 -3.41 118.68 109.81 3da7 s LEU 50 Ca 0.74 -0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 54.32 3da7 s LEU 50 Cb -0.28 -0.71 -0.01 0.00 0.50 0.00 0.00 46.19 45.69 3da7 s LEU 50 CO 0.37 0.08 0.12 -0.69 -1.32 0.00 0.00 176.35 174.91 3da7 s VAL 51 N 0.27 4.41 -0.40 1.68 1.01 -0.76 0.84 120.40 127.45 3da7 s VAL 51 Ca -0.06 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 3da7 s VAL 51 Cb -0.11 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3da7 s VAL 51 CO 0.01 0.13 0.39 -0.22 0.00 0.00 0.00 175.10 175.42 3da7 s LEU 52 N 1.59 4.82 -0.60 3.92 2.96 0.26 -1.35 118.68 130.28 3da7 s LEU 52 Ca 0.05 -0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 53.24 3da7 s LEU 52 Cb -0.17 -2.33 0.15 0.00 0.50 0.00 0.00 46.19 44.35 3da7 s LEU 52 CO 0.05 -0.50 0.48 -0.70 -1.32 0.00 0.00 176.35 174.36 3da7 s GLU 53 N 2.02 2.80 -0.70 1.98 2.12 -0.18 0.21 118.70 126.94 3da7 s GLU 53 Ca 0.11 -2.13 -0.17 0.00 0.36 0.00 0.00 54.97 53.14 3da7 s GLU 53 Cb -0.17 -4.02 0.14 0.00 0.26 0.00 0.00 34.13 30.34 3da7 s GLU 53 CO 0.12 -1.22 0.75 -0.46 -0.54 0.00 0.00 175.26 173.91 3da7 s TRP 54 N 0.72 3.27 0.40 5.30 -0.11 0.49 -1.43 118.94 127.59 3da7 s TRP 54 Ca 0.11 -1.37 -0.23 0.00 1.22 0.00 0.00 56.10 55.84 3da7 s TRP 54 Cb -0.21 -3.97 -0.10 0.00 -1.50 0.00 0.00 33.47 27.70 3da7 s TRP 54 CO -0.03 -1.20 0.99 1.03 -4.62 0.00 0.00 176.95 173.12 3da7 s ARG 55 N 1.81 4.24 -1.33 5.86 0.52 0.28 -1.67 118.95 128.67 3da7 s ARG 55 Ca 0.15 1.31 -0.01 0.00 -0.52 0.00 0.00 55.73 56.67 3da7 s ARG 55 Cb -0.18 -2.42 -0.00 0.00 0.52 0.00 0.00 34.95 32.86 3da7 s ARG 55 CO -0.01 -0.04 0.62 1.04 0.02 0.00 0.00 175.30 176.94 3da7 n GLN 56 N -0.23 -4.32 -0.17 3.54 1.13 0.27 -0.17 117.38 117.42 3da7 n GLN 56 Ca 0.06 0.56 -0.06 0.00 -1.94 0.00 0.00 57.00 55.61 3da7 n GLN 56 Cb 0.52 -4.97 0.03 0.00 0.11 0.00 0.00 30.24 25.93 3da7 n GLN 56 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 3da7 h PHE 57 N -1.85 0.59 -0.22 1.08 3.57 -1.70 -2.07 116.94 116.33 3da7 h PHE 57 Ca -0.62 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 60.83 3da7 h PHE 57 Cb 1.36 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 3da7 h PHE 57 CO 0.46 0.34 -0.16 0.93 -2.23 0.00 0.00 178.31 177.66 3da7 h GLU 58 N 0.63 0.37 -0.57 1.11 4.39 -1.91 -1.24 114.58 117.36 3da7 h GLU 58 Ca 0.20 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3da7 h GLU 58 Cb 0.00 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3da7 h GLU 58 CO -0.08 0.52 0.37 0.37 -1.16 0.00 0.00 179.01 179.03 3da7 h GLN 59 N 0.34 0.75 -0.63 2.33 5.75 -1.85 -3.05 115.11 118.75 3da7 h GLN 59 Ca 0.06 -0.05 0.11 0.00 -0.15 0.00 0.00 58.65 58.63 3da7 h GLN 59 Cb 0.48 -0.17 -0.08 0.00 1.07 0.00 0.00 27.48 28.78 3da7 h GLN 59 CO 0.03 0.51 0.18 0.77 -2.65 0.00 0.00 178.83 177.67 3da7 h SER 60 N 0.77 0.10 -0.42 -0.69 0.02 -0.53 -1.35 113.55 111.45 3da7 h SER 60 Ca 0.21 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.28 3da7 h SER 60 Cb -0.07 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3da7 h SER 60 CO -0.04 0.05 0.24 0.11 -1.14 0.00 0.00 176.83 176.05 3da7 h LYS 61 N 0.32 0.47 -0.91 3.45 1.57 -1.37 -1.41 116.57 118.69 3da7 h LYS 61 Ca 0.33 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.10 3da7 h LYS 61 Cb 0.48 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 3da7 h LYS 61 CO -0.38 0.31 0.60 0.37 -0.57 0.00 0.00 179.45 179.78 3da7 h GLN 62 N 0.48 1.17 -0.00 3.15 5.75 -1.39 0.83 115.11 125.10 3da7 h GLN 62 Ca 0.17 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3da7 h GLN 62 Cb 0.03 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.31 3da7 h GLN 62 CO -0.09 0.78 0.00 1.28 -2.65 0.00 0.00 178.83 178.15 3da7 n LEU 63 N -4.47 0.25 -0.30 -2.39 4.77 -0.56 -3.63 117.00 110.69 3da7 n LEU 63 Ca 0.11 -0.08 0.03 0.00 -0.03 0.00 0.00 56.01 56.04 3da7 n LEU 63 Cb 0.03 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3da7 n LEU 63 CO 0.36 0.04 0.37 0.35 -1.33 0.00 0.00 177.39 177.18 3da7 n THR 64 N -0.80 0.70 -3.20 -5.08 -2.24 -0.60 -3.41 114.28 99.65 3da7 n THR 64 Ca 0.23 -0.83 -0.22 0.00 -2.27 0.00 0.00 64.05 60.96 3da7 n THR 64 Cb 0.15 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3da7 n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3da7 n GLU 65 N -0.52 -3.59 -0.99 -0.78 1.02 -0.97 -1.08 120.64 113.73 3da7 n GLU 65 Ca 0.06 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 3da7 n GLU 65 Cb 0.65 -5.30 0.00 0.00 -0.02 0.00 0.00 31.44 26.76 3da7 n GLU 65 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3da7 n ASN 66 N -2.29 -2.86 0.28 1.62 5.15 0.25 -4.88 115.26 112.53 3da7 n ASN 66 Ca -0.05 0.00 0.15 0.00 -0.60 0.00 0.00 54.58 54.08 3da7 n ASN 66 Cb 0.56 -0.72 0.80 0.00 -0.53 0.00 0.00 39.78 39.90 3da7 n ASN 66 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3da7 h GLY 67 N 0.00 0.00 1.07 8.20 0.00 -1.34 -3.07 103.07 107.93 3da7 h GLY 67 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3da7 h GLY 67 CO 0.00 0.00 0.53 0.00 0.00 0.00 0.00 176.54 177.07 3da7 h ALA 68 N 1.92 1.52 -0.53 3.60 0.00 -1.82 -2.50 119.26 121.44 3da7 h ALA 68 Ca -0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3da7 h ALA 68 Cb 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3da7 h ALA 68 CO 0.01 0.40 -0.10 1.49 0.00 0.00 0.00 179.25 181.05 3da7 h GLU 69 N 0.99 1.00 -0.61 0.00 4.57 -1.92 -1.19 114.58 117.42 3da7 h GLU 69 Ca 0.32 -0.37 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 3da7 h GLU 69 Cb 0.05 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3da7 h GLU 69 CO -0.10 1.05 0.05 0.77 -1.18 0.00 0.00 179.01 179.60 3da7 h SER 70 N 0.86 1.01 -0.58 1.04 0.02 -1.65 0.02 113.55 114.27 3da7 h SER 70 Ca 0.14 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 3da7 h SER 70 Cb 0.66 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 3da7 h SER 70 CO 0.05 1.04 0.24 0.58 -1.14 0.00 0.00 176.83 177.60 3da7 h VAL 71 N 0.94 1.22 -0.18 2.27 2.07 -1.30 -2.40 116.25 118.87 3da7 h VAL 71 Ca 0.18 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3da7 h VAL 71 Cb 0.49 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3da7 h VAL 71 CO 0.02 0.27 0.12 0.25 0.02 0.00 0.00 177.57 178.25 3da7 h LEU 72 N 0.80 0.21 -1.28 2.57 5.85 -1.02 -2.65 115.31 119.80 3da7 h LEU 72 Ca 0.19 -0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.06 3da7 h LEU 72 Cb 0.19 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 3da7 h LEU 72 CO -0.02 0.17 0.59 -0.61 -0.34 0.00 0.00 178.44 178.23 3da7 h GLN 73 N 0.24 0.64 -0.70 1.25 5.75 -0.65 0.36 115.11 122.00 3da7 h GLN 73 Ca 0.07 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 3da7 h GLN 73 Cb -0.01 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 3da7 h GLN 73 CO -0.01 0.42 0.31 0.28 -2.65 0.00 0.00 178.83 177.18 3da7 h VAL 74 N 0.66 1.24 -0.28 2.39 2.07 -1.08 0.32 116.25 121.57 3da7 h VAL 74 Ca 0.48 -0.71 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3da7 h VAL 74 Cb 0.83 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3da7 h VAL 74 CO -0.23 0.29 -0.32 -0.26 0.02 0.00 0.00 177.57 177.06 3da7 h PHE 75 N 0.99 0.68 -0.80 1.57 0.04 -0.84 -0.99 116.94 117.60 3da7 h PHE 75 Ca 0.24 -0.17 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 3da7 h PHE 75 Cb 0.16 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 3da7 h PHE 75 CO 0.01 0.84 0.33 0.00 -0.60 0.00 0.00 178.31 178.89 3da7 h ARG 76 N 0.50 1.18 -0.19 1.51 2.47 -0.63 -1.19 114.38 118.04 3da7 h ARG 76 Ca 0.06 -0.21 -0.04 0.00 -1.26 0.00 0.00 59.98 58.53 3da7 h ARG 76 Cb 0.81 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 3da7 h ARG 76 CO 0.07 0.95 -0.02 0.93 0.56 0.00 0.00 179.97 182.46 3da7 h GLU 77 N 1.15 0.35 -0.98 0.04 5.08 -0.69 -0.65 114.58 118.88 3da7 h GLU 77 Ca 0.27 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3da7 h GLU 77 Cb 0.20 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3da7 h GLU 77 CO -0.02 0.58 0.65 0.00 -1.00 0.00 0.00 179.01 179.21 3da7 h ALA 78 N 0.76 1.24 -0.69 3.43 0.00 -1.11 0.10 119.26 122.99 3da7 h ALA 78 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3da7 h ALA 78 Cb 0.43 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3da7 h ALA 78 CO 0.01 0.62 0.44 1.57 0.00 0.00 0.00 179.25 181.89 3da7 h LYS 79 N 1.31 0.92 0.00 0.00 -0.00 -1.05 -1.21 116.57 116.54 3da7 h LYS 79 Ca 0.36 -0.07 -0.08 0.00 -0.00 0.00 0.00 60.65 60.86 3da7 h LYS 79 Cb -0.13 -0.20 -0.01 0.00 -0.00 0.00 0.00 32.23 31.88 3da7 h LYS 79 CO -0.08 0.63 -0.39 0.00 -0.00 0.00 0.00 179.45 179.61 3da7 h ALA 80 N 1.24 1.05 0.00 0.07 0.00 -0.30 -2.47 119.26 118.85 3da7 h ALA 80 Ca 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3da7 h ALA 80 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3da7 h ALA 80 CO -0.05 0.48 0.00 0.39 0.00 0.00 0.00 179.25 180.07 3da7 n GLU 81 N -3.63 0.52 0.00 0.00 -0.58 0.28 -4.87 120.64 112.36 3da7 n GLU 81 Ca -0.01 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3da7 n GLU 81 Cb 0.49 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 3da7 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3da7 n GLY 82 N 0.80 0.76 3.70 0.62 0.00 -0.93 -5.07 105.19 105.07 3da7 n GLY 82 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3da7 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3da7 s ASP 84 N 1.56 5.84 -0.16 0.00 2.15 -1.26 -4.27 116.67 120.52 3da7 s ASP 84 Ca 0.65 -2.03 0.01 0.00 0.43 0.00 0.00 52.55 51.60 3da7 s ASP 84 Cb -0.34 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.70 3da7 s ASP 84 CO 0.29 -2.23 -0.16 -0.63 -0.17 0.00 0.00 175.17 172.26 3da7 s ILE 85 N 7.99 2.52 -0.21 4.11 1.01 -1.26 0.03 121.20 135.39 3da7 s ILE 85 Ca 0.62 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 3da7 s ILE 85 Cb 0.01 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3da7 s ILE 85 CO 0.11 0.52 0.46 -0.89 0.00 0.00 0.00 174.94 175.14 3da7 s THR 86 N 0.89 5.14 -0.26 2.92 2.01 0.25 -4.96 115.64 121.63 3da7 s THR 86 Ca -0.04 0.82 -0.08 0.00 0.31 0.00 0.00 61.69 62.70 3da7 s THR 86 Cb -0.15 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 3da7 s THR 86 CO -0.02 0.19 0.09 -0.63 -0.69 0.00 0.00 174.62 173.56 3da7 s ILE 87 N 1.64 4.41 -0.32 1.82 1.01 -1.26 0.91 121.20 129.41 3da7 s ILE 87 Ca 0.21 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 3da7 s ILE 87 Cb -0.15 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.25 3da7 s ILE 87 CO 0.09 0.28 0.07 -0.63 0.00 0.00 0.00 174.94 174.74 3da7 s ILE 88 N 1.62 3.63 -0.50 2.92 1.01 0.13 -4.98 121.20 125.03 3da7 s ILE 88 Ca 0.06 -1.07 -0.14 0.00 0.00 0.00 0.00 60.65 59.51 3da7 s ILE 88 Cb -0.16 -3.00 0.12 0.00 0.01 0.00 0.00 42.46 39.43 3da7 s ILE 88 CO 0.04 -0.08 0.43 -0.76 0.00 0.00 0.00 174.94 174.57 3da7 s LEU 89 N 1.39 5.91 0.00 2.97 1.43 -1.26 -0.38 118.68 128.75 3da7 s LEU 89 Ca -0.01 -1.73 0.02 0.00 -1.03 0.00 0.00 54.13 51.38 3da7 s LEU 89 Cb -0.19 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 43.91 3da7 s LEU 89 CO 0.02 -0.76 0.57 -1.54 0.23 0.00 0.00 176.35 174.86