#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3da7 n LYS 2 N 0.00 2.84 -3.88 2.12 3.00 -0.85 -4.97 118.16 116.42 3da7 n LYS 2 Ca 0.00 1.04 -0.35 0.00 -0.00 0.00 0.00 58.31 58.99 3da7 n LYS 2 Cb 0.00 -2.97 -0.14 0.00 0.00 0.00 0.00 35.03 31.92 3da7 n LYS 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3da7 s LYS 3 N 3.69 3.31 -0.14 1.64 2.47 -1.26 -0.23 119.74 129.22 3da7 s LYS 3 Ca 0.86 -0.68 0.01 0.00 -1.56 0.00 0.00 55.97 54.60 3da7 s LYS 3 Cb -0.46 -3.08 -0.00 0.00 -1.46 0.00 0.00 37.83 32.83 3da7 s LYS 3 CO 0.40 -0.25 -0.18 0.00 0.16 0.00 0.00 175.35 175.48 3da7 s ALA 4 N 1.48 2.41 -0.12 3.13 0.00 0.55 -4.96 121.76 124.25 3da7 s ALA 4 Ca 0.05 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.03 3da7 s ALA 4 Cb -0.15 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.88 3da7 s ALA 4 CO -0.02 0.09 -0.22 0.08 0.00 0.00 0.00 175.76 175.69 3da7 s VAL 5 N 0.63 1.95 -0.23 0.00 1.01 -1.26 -0.27 120.40 122.22 3da7 s VAL 5 Ca -0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 3da7 s VAL 5 Cb -0.16 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 3da7 s VAL 5 CO 0.03 0.53 -0.03 -0.63 0.00 0.00 0.00 175.10 175.00 3da7 s ILE 6 N 0.63 3.46 -0.75 2.22 -1.09 0.10 -4.94 121.20 120.84 3da7 s ILE 6 Ca -0.12 -0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 57.58 3da7 s ILE 6 Cb -0.16 -2.61 0.11 0.00 -1.58 0.00 0.00 42.46 38.22 3da7 s ILE 6 CO 0.03 0.38 0.93 0.20 -1.23 0.00 0.00 174.94 175.25 3da7 s ASN 7 N 1.48 6.38 0.59 3.58 -0.87 -1.26 -0.02 114.94 124.82 3da7 s ASN 7 Ca 0.05 -1.61 0.32 0.00 -1.57 0.00 0.00 52.86 50.05 3da7 s ASN 7 Cb -0.15 -2.36 1.83 0.00 -0.02 0.00 0.00 41.25 40.55 3da7 s ASN 7 CO -0.02 -1.15 2.22 1.23 -2.57 0.00 0.00 177.10 176.81 3da7 h GLY 8 N 10.37 0.00 -0.91 0.66 0.00 -0.30 0.54 103.07 113.43 3da7 h GLY 8 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3da7 h GLY 8 CO 1.10 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 175.80 3da7 n GLU 9 N -3.63 1.85 0.13 4.80 0.28 -1.26 -3.28 120.64 119.52 3da7 n GLU 9 Ca -0.03 -1.25 0.12 0.00 -0.16 0.00 0.00 57.16 55.85 3da7 n GLU 9 Cb 0.13 -1.46 0.16 0.00 1.43 0.00 0.00 31.44 31.70 3da7 n GLU 9 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 3da7 h GLN 10 N 2.88 0.00 -6.30 3.44 1.08 -1.27 -3.47 115.11 111.48 3da7 h GLN 10 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 3da7 h GLN 10 Cb 0.62 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 3da7 h GLN 10 CO 0.00 0.00 0.74 0.42 -0.95 0.00 0.00 178.83 179.04 3da7 s ILE 11 N -3.22 4.20 -0.04 2.54 -1.09 -1.21 -4.92 121.20 117.47 3da7 s ILE 11 Ca 0.05 1.53 0.22 0.00 -2.23 0.00 0.00 60.65 60.21 3da7 s ILE 11 Cb 0.10 -3.98 -0.33 0.00 -1.58 0.00 0.00 42.46 36.66 3da7 s ILE 11 CO 0.70 -0.02 0.46 0.54 -1.23 0.00 0.00 174.94 175.39 3da7 n ARG 12 N 5.42 0.65 -3.87 2.79 5.12 -1.26 -4.83 116.66 120.69 3da7 n ARG 12 Ca 0.12 -0.19 -0.01 0.00 -1.93 0.00 0.00 57.85 55.83 3da7 n ARG 12 Cb 0.46 -1.51 0.01 0.00 -1.16 0.00 0.00 32.46 30.26 3da7 n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3da7 s SER 13 N -4.53 -0.02 0.14 0.55 1.04 -1.17 -4.83 113.70 104.89 3da7 s SER 13 Ca -0.08 -0.47 -0.13 0.00 0.48 0.00 0.00 55.95 55.75 3da7 s SER 13 Cb 0.14 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3da7 s SER 13 CO 0.90 -0.74 1.58 -0.29 0.98 0.00 0.00 173.24 175.67 3da7 h ILE 14 N 2.00 1.27 -0.85 -1.02 6.09 -1.78 -2.20 117.51 121.01 3da7 h ILE 14 Ca -0.26 -1.10 0.10 0.00 -1.37 0.00 0.00 64.86 62.23 3da7 h ILE 14 Cb 1.21 1.05 -0.06 0.00 0.47 0.00 0.00 36.82 39.49 3da7 h ILE 14 CO 0.33 0.38 0.55 0.28 -3.07 0.00 0.00 178.15 176.62 3da7 h SER 15 N 0.68 0.74 0.28 2.19 0.02 -1.96 -1.89 113.55 113.60 3da7 h SER 15 Ca 0.13 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 3da7 h SER 15 Cb 0.54 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3da7 h SER 15 CO 0.03 0.43 -0.45 -0.78 -1.14 0.00 0.00 176.83 174.92 3da7 h ASP 16 N 0.81 0.23 -0.19 3.07 3.58 -1.80 -1.50 116.42 120.62 3da7 h ASP 16 Ca 0.40 -0.10 -0.19 0.00 0.42 0.00 0.00 57.03 57.56 3da7 h ASP 16 Cb 0.44 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.43 3da7 h ASP 16 CO -0.16 0.65 -0.58 0.25 -2.88 0.00 0.00 179.24 176.52 3da7 h LEU 17 N 0.18 0.89 -0.75 2.28 5.85 -0.78 -1.63 115.31 121.36 3da7 h LEU 17 Ca 0.01 -0.49 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 3da7 h LEU 17 Cb 0.87 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3da7 h LEU 17 CO 0.07 1.28 -0.27 0.45 -0.34 0.00 0.00 178.44 179.63 3da7 h HIS 18 N 0.60 0.75 -0.65 1.25 3.86 -1.23 0.65 115.15 120.38 3da7 h HIS 18 Ca 0.00 -0.18 -0.07 0.00 -1.16 0.00 0.00 60.37 58.96 3da7 h HIS 18 Cb 1.18 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.45 3da7 h HIS 18 CO 0.07 0.86 0.12 1.96 0.86 0.00 0.00 177.93 181.80 3da7 h GLN 19 N 0.57 1.07 -0.45 2.45 7.50 -1.20 0.15 115.11 125.20 3da7 h GLN 19 Ca 0.07 -0.27 -0.05 0.00 0.50 0.00 0.00 58.65 58.90 3da7 h GLN 19 Cb 0.75 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 28.13 3da7 h GLN 19 CO 0.06 0.97 0.08 1.15 -1.50 0.00 0.00 178.83 179.59 3da7 h THR 20 N 1.00 1.24 -0.55 -0.54 2.02 -0.93 -2.14 112.91 113.02 3da7 h THR 20 Ca 0.20 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 3da7 h THR 20 Cb 0.41 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3da7 h THR 20 CO 0.01 0.31 0.23 -0.07 0.37 0.00 0.00 175.52 176.37 3da7 h LEU 21 N 0.60 0.75 -0.31 2.58 3.38 -0.65 0.10 115.31 121.76 3da7 h LEU 21 Ca 0.14 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3da7 h LEU 21 Cb 0.37 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3da7 h LEU 21 CO 0.01 0.70 -0.04 0.50 0.09 0.00 0.00 178.44 179.70 3da7 h LYS 22 N 0.74 0.04 0.30 1.13 3.64 -0.51 0.46 116.57 122.38 3da7 h LYS 22 Ca 0.18 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3da7 h LYS 22 Cb 0.18 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3da7 h LYS 22 CO -0.02 0.03 -0.15 -0.22 -2.27 0.00 0.00 179.45 176.82 3da7 h LYS 23 N 0.04 -0.39 -0.03 1.90 1.63 -1.22 0.07 116.57 118.58 3da7 h LYS 23 Ca 0.15 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.88 3da7 h LYS 23 Cb 0.22 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 3da7 h LYS 23 CO -0.29 -0.19 -0.45 0.93 -3.45 0.00 0.00 179.45 176.00 3da7 h GLU 24 N -0.52 0.07 -0.01 1.90 4.39 -0.61 -2.67 114.58 117.13 3da7 h GLU 24 Ca -0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3da7 h GLU 24 Cb 0.38 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3da7 h GLU 24 CO 0.07 0.50 -0.52 1.28 -1.16 0.00 0.00 179.01 179.18 3da7 n LEU 25 N -4.00 1.15 -2.63 1.33 4.77 0.16 -4.59 117.00 113.18 3da7 n LEU 25 Ca -0.02 -0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 55.45 3da7 n LEU 25 Cb 0.48 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3da7 n LEU 25 CO 0.41 0.24 0.12 0.00 -1.33 0.00 0.00 177.39 176.82 3da7 n ALA 26 N -0.86 -1.14 -1.77 -1.18 0.00 -0.45 -4.87 120.51 110.24 3da7 n ALA 26 Ca 0.08 0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.33 3da7 n ALA 26 Cb 0.37 -2.83 0.03 0.00 0.00 0.00 0.00 19.45 17.02 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 -5.13 3.18 0.77 0.00 1.43 -0.11 -5.02 118.68 113.78 3da7 s LEU 27 Ca 0.19 1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 54.65 3da7 s LEU 27 Cb -0.08 -4.45 0.05 0.00 0.03 0.00 0.00 46.19 41.74 3da7 s LEU 27 CO 0.50 -1.09 1.09 -2.16 0.23 0.00 0.00 176.35 174.92 3da7 s PRO 28 N -5.14 2.28 0.52 1.29 0.04 -1.26 -4.90 135.00 127.83 3da7 s PRO 28 Ca 0.56 1.19 0.16 0.00 0.04 0.00 0.00 61.00 62.96 3da7 s PRO 28 Cb -0.12 -1.90 1.28 0.00 0.04 0.00 0.00 34.50 33.80 3da7 s PRO 28 CO 0.54 -1.63 2.15 1.49 0.04 0.00 0.00 177.00 179.59 3da7 h GLU 29 N -1.04 0.00 0.00 4.56 4.57 -1.99 -0.55 114.58 120.13 3da7 h GLU 29 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 3da7 h GLU 29 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3da7 h GLU 29 CO 0.51 0.01 0.00 2.48 -1.18 0.00 0.00 179.01 180.83 3da7 n TYR 30 N -4.51 0.00 -1.66 0.92 0.18 -1.26 -4.92 117.16 105.91 3da7 n TYR 30 Ca -0.03 0.00 -0.62 0.00 1.88 0.00 0.00 57.90 59.13 3da7 n TYR 30 Cb 0.09 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 38.97 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 -0.97 1.48 1.19 -3.48 9.36 -0.22 -4.77 117.16 119.75 3da7 n TYR 31 Ca 0.22 0.97 0.12 0.00 3.32 0.00 0.00 57.90 62.53 3da7 n TYR 31 Cb 0.10 -2.24 0.61 0.00 -0.63 0.00 0.00 39.34 37.19 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 3.21 -1.00 3.81 2.98 0.00 -1.26 -4.92 105.19 108.02 3da7 n GLY 32 Ca 0.26 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.23 -3.09 -3.98 1.61 1.02 -1.26 -4.97 120.64 108.75 3da7 n GLU 33 Ca 0.12 0.47 -0.09 0.00 -0.02 0.00 0.00 57.16 57.64 3da7 n GLU 33 Cb 0.16 -4.58 -0.04 0.00 -0.02 0.00 0.00 31.44 26.97 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 -4.11 0.00 0.27 1.62 2.20 -1.26 -4.97 114.94 108.69 3da7 s ASN 34 Ca 0.14 -0.97 -0.00 0.00 -0.94 0.00 0.00 52.86 51.09 3da7 s ASN 34 Cb -0.05 0.63 0.36 0.00 -2.00 0.00 0.00 41.25 40.20 3da7 s ASN 34 CO 0.86 -1.22 1.74 -0.07 -2.94 0.00 0.00 177.10 175.47 3da7 h LEU 35 N 2.19 0.64 -0.53 3.54 3.38 -1.98 -0.41 115.31 122.14 3da7 h LEU 35 Ca -0.26 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 3da7 h LEU 35 Cb 1.25 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3da7 h LEU 35 CO 0.35 0.79 0.03 0.44 0.09 0.00 0.00 178.44 180.14 3da7 h ASP 36 N 0.59 0.89 -0.40 -0.43 3.32 -1.99 -0.97 116.42 117.44 3da7 h ASP 36 Ca 0.10 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3da7 h ASP 36 Cb 0.56 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3da7 h ASP 36 CO 0.04 0.96 0.13 0.00 -1.72 0.00 0.00 179.24 178.65 3da7 h ALA 37 N 0.96 0.52 -0.35 3.45 0.00 -1.87 -1.12 119.26 120.86 3da7 h ALA 37 Ca 0.15 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3da7 h ALA 37 Cb 0.49 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3da7 h ALA 37 CO 0.02 0.16 0.11 1.25 0.00 0.00 0.00 179.25 180.80 3da7 h LEU 38 N 0.50 0.11 -0.99 0.00 5.85 -0.90 0.12 115.31 120.01 3da7 h LEU 38 Ca 0.13 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3da7 h LEU 38 Cb 0.25 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3da7 h LEU 38 CO -0.00 0.10 0.43 -0.25 -0.34 0.00 0.00 178.44 178.38 3da7 h TRP 39 N 0.26 1.13 -0.46 1.25 2.91 -1.07 -0.54 115.95 119.43 3da7 h TRP 39 Ca 0.16 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 3da7 h TRP 39 Cb 0.14 -0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 28.41 3da7 h TRP 39 CO -0.15 0.79 0.23 0.22 -1.03 0.00 0.00 178.44 178.51 3da7 h ASP 40 N 1.15 0.59 -0.53 2.65 3.58 -0.47 -2.14 116.42 121.25 3da7 h ASP 40 Ca 0.29 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.50 3da7 h ASP 40 Cb 0.05 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 3da7 h ASP 40 CO -0.04 0.54 -0.13 0.00 -2.88 0.00 0.00 179.24 176.73 3da7 h LEU 42 N 0.91 0.74 -2.18 0.00 3.38 -1.01 -0.26 115.31 116.89 3da7 h LEU 42 Ca 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3da7 h LEU 42 Cb 0.71 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3da7 h LEU 42 CO 0.05 0.89 0.00 0.35 0.09 0.00 0.00 178.44 179.83 3da7 n THR 43 N -4.15 0.34 -2.08 0.22 -2.24 -0.81 -4.55 114.28 101.01 3da7 n THR 43 Ca 0.01 -0.66 -0.05 0.00 -2.27 0.00 0.00 64.05 61.08 3da7 n THR 43 Cb 0.38 1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.46 0.61 2.11 3.38 0.00 -0.38 -5.02 105.19 107.35 3da7 n GLY 44 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.08 -3.41 -1.48 1.61 -0.00 -0.26 -4.84 117.44 109.15 3da7 n TRP 45 Ca -0.20 0.81 -0.43 0.00 -0.00 0.00 0.00 57.50 57.68 3da7 n TRP 45 Cb 0.76 2.20 -0.00 0.00 -0.00 0.00 0.00 31.31 34.27 3da7 n TRP 45 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 3da7 n VAL 46 N -3.03 1.87 -3.65 5.87 0.31 -0.33 -4.97 118.33 114.39 3da7 n VAL 46 Ca 0.00 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.46 3da7 n VAL 46 Cb 0.00 -0.60 -0.06 0.00 -0.91 0.00 0.00 33.84 32.27 3da7 n VAL 46 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3da7 s GLU 47 N -1.52 3.85 0.21 5.55 -1.05 -1.26 -4.97 118.70 119.50 3da7 s GLU 47 Ca 0.62 0.13 0.08 0.00 -0.15 0.00 0.00 54.97 55.65 3da7 s GLU 47 Cb -0.66 -3.27 -0.04 0.00 -0.44 0.00 0.00 34.13 29.72 3da7 s GLU 47 CO 0.58 0.59 0.02 0.71 0.95 0.00 0.00 175.26 178.11 3da7 s TYR 48 N -0.61 2.83 0.75 4.83 2.02 -1.26 -4.41 117.35 121.50 3da7 s TYR 48 Ca 0.18 -0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.60 3da7 s TYR 48 Cb -0.14 -1.33 0.05 0.00 -0.40 0.00 0.00 41.96 40.14 3da7 s TYR 48 CO 0.07 0.55 1.11 -2.14 -1.57 0.00 0.00 175.55 173.57 3da7 s PRO 49 N -3.25 2.28 0.00 -1.71 0.02 -1.26 -4.70 135.00 126.39 3da7 s PRO 49 Ca 0.29 1.31 0.03 0.00 0.02 0.00 0.00 61.00 62.65 3da7 s PRO 49 Cb -0.08 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.54 3da7 s PRO 49 CO 0.20 -1.65 -0.09 -1.17 -0.33 0.00 0.00 177.00 173.96 3da7 s LEU 50 N -5.63 2.06 -0.25 -5.54 2.96 -0.25 -2.01 118.68 110.01 3da7 s LEU 50 Ca 0.64 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3da7 s LEU 50 Cb -0.20 -0.43 0.03 0.00 0.50 0.00 0.00 46.19 46.09 3da7 s LEU 50 CO 0.51 0.06 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.85 3da7 s VAL 51 N -0.40 2.75 -0.42 1.68 1.01 0.68 -0.09 120.40 125.61 3da7 s VAL 51 Ca 0.02 -1.14 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 3da7 s VAL 51 Cb -0.05 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.92 3da7 s VAL 51 CO -0.00 0.16 0.41 -0.22 0.00 0.00 0.00 175.10 175.44 3da7 s LEU 52 N 1.29 4.90 -0.41 3.92 2.96 0.16 -0.33 118.68 131.17 3da7 s LEU 52 Ca -0.01 -0.70 -0.10 0.00 -0.22 0.00 0.00 54.13 53.09 3da7 s LEU 52 Cb -0.17 -2.34 0.06 0.00 0.50 0.00 0.00 46.19 44.24 3da7 s LEU 52 CO -0.05 -0.54 0.25 -0.70 -1.32 0.00 0.00 176.35 173.99 3da7 s GLU 53 N 2.04 2.69 -0.60 1.98 2.12 0.62 0.68 118.70 128.23 3da7 s GLU 53 Ca 0.11 -1.33 -0.07 0.00 0.36 0.00 0.00 54.97 54.03 3da7 s GLU 53 Cb -0.17 -3.78 0.16 0.00 0.26 0.00 0.00 34.13 30.60 3da7 s GLU 53 CO 0.13 -0.88 0.46 -0.46 -0.54 0.00 0.00 175.26 173.97 3da7 s TRP 54 N 1.47 3.50 0.36 5.30 -0.11 0.70 -0.72 118.94 129.45 3da7 s TRP 54 Ca 0.02 -2.24 -0.25 0.00 1.22 0.00 0.00 56.10 54.85 3da7 s TRP 54 Cb -0.22 -3.44 -0.10 0.00 -1.50 0.00 0.00 33.47 28.21 3da7 s TRP 54 CO 0.04 -0.94 0.96 1.03 -4.62 0.00 0.00 176.95 173.42 3da7 s ARG 55 N 0.57 4.46 -1.36 5.86 0.52 0.98 -1.83 118.95 128.14 3da7 s ARG 55 Ca 0.13 1.30 -0.03 0.00 -0.52 0.00 0.00 55.73 56.61 3da7 s ARG 55 Cb -0.20 -2.63 0.02 0.00 0.52 0.00 0.00 34.95 32.65 3da7 s ARG 55 CO -0.04 0.16 0.73 1.04 0.02 0.00 0.00 175.30 177.22 3da7 n GLN 56 N 0.21 -4.92 -0.30 3.54 1.13 -0.24 0.35 117.38 117.14 3da7 n GLN 56 Ca 0.03 0.60 -0.05 0.00 -1.94 0.00 0.00 57.00 55.64 3da7 n GLN 56 Cb 0.51 -5.19 0.07 0.00 0.11 0.00 0.00 30.24 25.74 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 -1.91 1.18 -0.88 1.08 3.57 -1.74 -2.28 116.94 115.95 3da7 h PHE 57 Ca -0.61 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 60.85 3da7 h PHE 57 Cb 1.36 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 3da7 h PHE 57 CO 0.49 0.85 0.58 0.93 -2.23 0.00 0.00 178.31 178.93 3da7 h GLU 58 N 1.16 1.16 0.00 1.11 4.39 -1.92 -2.23 114.58 118.25 3da7 h GLU 58 Ca 0.28 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 3da7 h GLU 58 Cb 0.10 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3da7 h GLU 58 CO -0.04 0.77 -0.22 1.96 -1.16 0.00 0.00 179.01 180.32 3da7 h GLN 59 N 1.19 0.00 0.00 2.33 4.20 -1.74 -2.86 115.11 118.23 3da7 h GLN 59 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3da7 h GLN 59 Cb -0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3da7 h GLN 59 CO -0.07 0.22 0.00 0.66 -0.67 0.00 0.00 178.83 178.97 3da7 h SER 60 N 0.00 0.00 -0.21 1.46 4.64 -1.03 -3.04 113.55 115.37 3da7 h SER 60 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 3da7 h SER 60 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3da7 h SER 60 CO 0.03 0.00 -0.55 0.11 -0.87 0.00 0.00 176.83 175.55 3da7 h LYS 61 N 0.00 0.74 -0.04 4.77 1.57 -1.43 -2.90 116.57 119.28 3da7 h LYS 61 Ca 0.00 -0.52 -0.23 0.00 -1.87 0.00 0.00 60.65 58.03 3da7 h LYS 61 Cb 0.71 0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.11 3da7 h LYS 61 CO 0.00 1.14 -0.91 1.96 -0.57 0.00 0.00 179.45 181.07 3da7 h GLN 62 N 0.46 0.56 0.00 3.15 4.20 -1.71 -1.30 115.11 120.47 3da7 h GLN 62 Ca -0.01 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.15 3da7 h GLN 62 Cb 1.16 0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.08 3da7 h GLN 62 CO 0.12 1.17 0.00 1.28 -0.67 0.00 0.00 178.83 180.73 3da7 n LEU 63 N -3.82 0.00 -0.04 1.46 4.77 -1.15 -2.59 117.00 115.63 3da7 n LEU 63 Ca -0.08 0.19 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 3da7 n LEU 63 Cb 0.81 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 3da7 n LEU 63 CO 0.52 -0.11 0.45 0.35 -1.33 0.00 0.00 177.39 177.27 3da7 n THR 64 N -1.19 0.88 -3.64 -5.08 -2.24 -1.10 -3.04 114.28 98.87 3da7 n THR 64 Ca 0.07 -0.94 -0.22 0.00 -2.27 0.00 0.00 64.05 60.69 3da7 n THR 64 Cb 0.08 0.49 0.06 0.00 -2.10 0.00 0.00 70.33 68.86 3da7 n THR 64 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3da7 n GLU 65 N -0.51 -6.08 -1.00 -0.78 0.00 -1.07 -1.70 120.64 109.49 3da7 n GLU 65 Ca 0.02 0.72 0.00 0.00 0.00 0.00 0.00 57.16 57.90 3da7 n GLU 65 Cb 0.38 -5.56 0.00 0.00 0.00 0.00 0.00 31.44 26.26 3da7 n GLU 65 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3da7 n ASN 66 N -3.03 -3.69 0.14 -1.84 0.23 -0.50 -4.91 115.26 101.66 3da7 n ASN 66 Ca -0.18 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 53.99 3da7 n ASN 66 Cb 0.63 -1.29 0.11 0.00 -2.08 0.00 0.00 39.78 37.14 3da7 n ASN 66 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3da7 h GLY 67 N 0.00 0.00 1.22 4.83 0.00 -1.51 -3.35 103.07 104.26 3da7 h GLY 67 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3da7 h GLY 67 CO 0.00 0.00 0.48 0.00 0.00 0.00 0.00 176.54 177.02 3da7 h ALA 68 N 2.10 1.39 -0.68 3.60 0.00 -1.79 -2.74 119.26 121.14 3da7 h ALA 68 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3da7 h ALA 68 Cb 0.95 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3da7 h ALA 68 CO 0.00 0.54 0.14 1.49 0.00 0.00 0.00 179.25 181.42 3da7 h GLU 69 N 1.06 1.10 -0.42 0.00 4.57 -1.93 -1.40 114.58 117.56 3da7 h GLU 69 Ca 0.28 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3da7 h GLU 69 Cb -0.07 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 3da7 h GLU 69 CO -0.06 0.99 0.18 0.77 -1.18 0.00 0.00 179.01 179.71 3da7 h SER 70 N 1.04 0.57 -0.44 1.04 0.02 -1.69 0.13 113.55 114.22 3da7 h SER 70 Ca 0.21 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3da7 h SER 70 Cb 0.40 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3da7 h SER 70 CO 0.01 0.57 0.21 0.58 -1.14 0.00 0.00 176.83 177.05 3da7 h VAL 71 N 0.54 1.18 -0.76 2.27 2.07 -1.33 -2.40 116.25 117.82 3da7 h VAL 71 Ca 0.14 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3da7 h VAL 71 Cb 0.16 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3da7 h VAL 71 CO -0.01 0.20 0.41 0.25 0.02 0.00 0.00 177.57 178.44 3da7 h LEU 72 N 0.56 0.94 -0.75 2.57 5.85 -1.12 -2.73 115.31 120.63 3da7 h LEU 72 Ca 0.15 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3da7 h LEU 72 Cb 0.13 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3da7 h LEU 72 CO -0.02 0.76 0.45 -0.61 -0.34 0.00 0.00 178.44 178.69 3da7 h GLN 73 N 1.06 0.83 -0.65 1.25 4.15 -0.50 -0.58 115.11 120.67 3da7 h GLN 73 Ca 0.27 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 3da7 h GLN 73 Cb 0.03 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 3da7 h GLN 73 CO -0.04 0.55 0.37 0.28 -1.93 0.00 0.00 178.83 178.05 3da7 h VAL 74 N 0.85 1.20 -0.38 2.39 2.07 -1.15 0.64 116.25 121.88 3da7 h VAL 74 Ca 0.32 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3da7 h VAL 74 Cb 0.12 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3da7 h VAL 74 CO -0.15 0.21 0.17 -0.26 0.02 0.00 0.00 177.57 177.56 3da7 h PHE 75 N 0.88 0.56 -0.43 1.57 0.04 -1.21 0.24 116.94 118.59 3da7 h PHE 75 Ca 0.23 -0.04 0.06 0.00 2.80 0.00 0.00 57.97 61.02 3da7 h PHE 75 Cb 0.01 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 37.94 3da7 h PHE 75 CO -0.01 0.49 0.14 0.00 -0.60 0.00 0.00 178.31 178.33 3da7 h ARG 76 N 0.47 0.29 -0.50 1.51 2.47 -0.78 -0.75 114.38 117.09 3da7 h ARG 76 Ca 0.13 -0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.72 3da7 h ARG 76 Cb 0.15 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 3da7 h ARG 76 CO -0.01 0.19 -0.14 1.49 0.56 0.00 0.00 179.97 182.06 3da7 h GLU 77 N 0.30 0.96 -0.44 0.04 4.81 -0.58 -0.03 114.58 119.64 3da7 h GLU 77 Ca 0.20 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3da7 h GLU 77 Cb 0.20 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3da7 h GLU 77 CO -0.22 1.03 0.21 0.00 -0.73 0.00 0.00 179.01 179.30 3da7 h ALA 78 N 0.98 0.57 -0.68 2.92 0.00 -0.72 -1.99 119.26 120.34 3da7 h ALA 78 Ca 0.13 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3da7 h ALA 78 Cb 0.69 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3da7 h ALA 78 CO 0.05 0.14 0.45 -0.22 0.00 0.00 0.00 179.25 179.67 3da7 h LYS 79 N 0.57 0.86 0.00 0.00 3.64 -0.75 -1.41 116.57 119.47 3da7 h LYS 79 Ca 0.15 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3da7 h LYS 79 Cb 0.12 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3da7 h LYS 79 CO -0.02 0.57 -0.24 0.00 -2.27 0.00 0.00 179.45 177.49 3da7 h ALA 80 N 1.59 1.24 -0.10 5.00 0.00 -0.57 -2.68 119.26 123.74 3da7 h ALA 80 Ca 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3da7 h ALA 80 Cb -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3da7 h ALA 80 CO -0.06 0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.88 3da7 n GLU 81 N -3.72 1.52 0.00 0.00 1.02 -0.58 -4.89 120.64 113.98 3da7 n GLU 81 Ca -0.01 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 3da7 n GLU 81 Cb 0.35 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3da7 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3da7 n GLY 82 N 1.05 1.02 3.70 0.62 0.00 -1.01 -5.08 105.19 105.50 3da7 n GLY 82 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3da7 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3da7 n ASP 84 N 4.41 3.95 -4.39 0.00 -0.08 -1.26 -4.24 116.55 114.93 3da7 n ASP 84 Ca 0.09 -2.81 -0.33 0.00 -1.51 0.00 0.00 54.79 50.23 3da7 n ASP 84 Cb 0.47 -1.71 -0.14 0.00 2.34 0.00 0.00 41.12 42.08 3da7 n ASP 84 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3da7 s ILE 85 N 7.27 3.17 -0.24 5.18 1.01 -1.26 -1.09 121.20 135.24 3da7 s ILE 85 Ca 0.60 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 3da7 s ILE 85 Cb 0.03 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 3da7 s ILE 85 CO 0.10 0.52 0.16 -0.89 0.00 0.00 0.00 174.94 174.83 3da7 s THR 86 N 0.29 5.34 -0.19 2.92 2.01 0.87 -4.97 115.64 121.91 3da7 s THR 86 Ca -0.09 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.03 3da7 s THR 86 Cb -0.15 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 3da7 s THR 86 CO 0.05 0.34 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.69 3da7 s ILE 87 N 1.07 4.04 -0.19 1.82 1.01 -1.26 0.38 121.20 128.07 3da7 s ILE 87 Ca 0.07 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.44 3da7 s ILE 87 Cb -0.14 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.55 3da7 s ILE 87 CO 0.05 0.45 -0.18 -0.63 0.00 0.00 0.00 174.94 174.62 3da7 s ILE 88 N 0.75 2.13 -0.56 2.92 1.01 0.21 -4.96 121.20 122.71 3da7 s ILE 88 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.56 3da7 s ILE 88 Cb -0.14 -1.94 0.14 0.00 0.01 0.00 0.00 42.46 40.53 3da7 s ILE 88 CO 0.02 0.47 0.44 -0.76 0.00 0.00 0.00 174.94 175.12 3da7 s LEU 89 N 1.28 5.86 0.00 2.97 1.43 -1.26 -0.21 118.68 128.74 3da7 s LEU 89 Ca 0.04 -2.15 0.14 0.00 -1.03 0.00 0.00 54.13 51.13 3da7 s LEU 89 Cb -0.14 -2.04 0.11 0.00 0.03 0.00 0.00 46.19 44.15 3da7 s LEU 89 CO -0.12 -0.65 0.95 -1.54 0.23 0.00 0.00 176.35 175.22