#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m79 s ASP 2 N 0.00 4.77 0.17 0.00 1.47 -1.26 -4.82 116.67 117.00 3m79 s ASP 2 Ca 0.00 0.71 -0.15 0.00 1.18 0.00 0.00 52.55 54.29 3m79 s ASP 2 Cb 0.00 -1.31 0.11 0.00 -0.34 0.00 0.00 42.92 41.38 3m79 s ASP 2 CO 0.00 -1.70 1.74 0.25 0.68 0.00 0.00 175.17 176.15 3m79 h LEU 3 N -0.81 0.13 -0.69 2.11 7.12 -1.95 -1.76 115.31 119.46 3m79 h LEU 3 Ca -0.45 0.05 0.03 0.00 0.13 0.00 0.00 57.88 57.64 3m79 h LEU 3 Cb 1.31 0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 41.44 3m79 h LEU 3 CO 0.64 0.11 0.42 -0.08 -0.13 0.00 0.00 178.44 179.39 3m79 h GLU 4 N 0.29 0.80 -0.47 1.25 4.81 -1.99 -0.21 114.58 119.06 3m79 h GLU 4 Ca 0.20 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3m79 h GLU 4 Cb 0.20 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3m79 h GLU 4 CO -0.22 0.53 0.11 -0.44 -0.73 0.00 0.00 179.01 178.26 3m79 h ASP 5 N 0.82 0.72 -0.77 1.04 5.19 -1.81 -0.74 116.42 120.88 3m79 h ASP 5 Ca 0.28 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3m79 h ASP 5 Cb 0.04 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.33 3m79 h ASP 5 CO -0.12 0.77 0.49 0.78 -3.12 0.00 0.00 179.24 178.04 3m79 h ASN 6 N 0.64 0.90 -0.75 6.45 2.35 -0.98 -1.77 115.58 122.41 3m79 h ASN 6 Ca 0.15 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3m79 h ASN 6 Cb 0.34 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3m79 h ASN 6 CO 0.00 0.67 0.32 0.24 -1.65 0.00 0.00 177.43 177.02 3m79 h MET 7 N 1.04 1.11 -0.34 0.81 2.86 -0.80 -0.69 114.93 118.92 3m79 h MET 7 Ca 0.28 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3m79 h MET 7 Cb -0.08 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.36 3m79 h MET 7 CO -0.06 0.90 0.15 0.93 1.06 0.00 0.00 176.91 179.89 3m79 h GLU 8 N 1.08 0.31 -0.26 1.72 5.08 -0.81 -0.58 114.58 121.11 3m79 h GLU 8 Ca 0.25 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 3m79 h GLU 8 Cb 0.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3m79 h GLU 8 CO -0.02 0.20 -0.33 1.79 -1.00 0.00 0.00 179.01 179.65 3m79 h THR 9 N 0.32 1.29 -0.19 1.13 1.35 -1.07 0.16 112.91 115.89 3m79 h THR 9 Ca 0.15 -1.45 0.02 0.00 -0.55 0.00 0.00 66.41 64.59 3m79 h THR 9 Cb 0.08 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 3m79 h THR 9 CO -0.12 0.46 0.03 -0.07 -0.25 0.00 0.00 175.52 175.57 3m79 h LEU 10 N 0.47 0.00 -0.17 3.87 3.38 -0.95 -1.95 115.31 119.97 3m79 h LEU 10 Ca 0.05 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3m79 h LEU 10 Cb 0.81 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3m79 h LEU 10 CO 0.07 0.03 -0.02 -1.13 0.09 0.00 0.00 178.44 177.48 3m79 h ASN 11 N 0.11 0.31 -0.49 -0.43 -1.24 -0.76 -1.50 115.58 111.58 3m79 h ASN 11 Ca 0.09 -0.34 0.03 0.00 0.71 0.00 0.00 56.30 56.79 3m79 h ASN 11 Cb 0.08 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 3m79 h ASN 11 CO -0.12 0.58 0.26 0.44 -1.29 0.00 0.00 177.43 177.30 3m79 h ASP 12 N 0.03 0.40 0.38 1.15 5.19 -0.71 -2.48 116.42 120.39 3m79 h ASP 12 Ca 0.04 0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.31 3m79 h ASP 12 Cb 0.43 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 3m79 h ASP 12 CO 0.01 0.28 -0.68 0.78 -3.12 0.00 0.00 179.24 176.51 3m79 h ASN 13 N 0.52 0.31 -0.76 6.45 4.21 -1.32 -2.28 115.58 122.71 3m79 h ASN 13 Ca 0.21 -0.20 0.03 0.00 1.21 0.00 0.00 56.30 57.55 3m79 h ASN 13 Cb 0.08 -0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 37.15 3m79 h ASN 13 CO -0.13 0.90 0.48 0.25 -1.29 0.00 0.00 177.43 177.65 3m79 h LEU 14 N 0.19 0.80 -0.72 1.61 5.85 -1.12 -1.28 115.31 120.63 3m79 h LEU 14 Ca -0.02 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3m79 h LEU 14 Cb 1.23 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3m79 h LEU 14 CO 0.11 0.55 0.22 0.11 -0.34 0.00 0.00 178.44 179.09 3m79 h LYS 15 N 0.94 1.12 -0.50 1.25 1.57 -1.26 -2.11 116.57 117.58 3m79 h LYS 15 Ca 0.31 -0.24 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3m79 h LYS 15 Cb 0.01 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 3m79 h LYS 15 CO -0.11 0.96 0.26 0.28 -0.57 0.00 0.00 179.45 180.27 3m79 h VAL 16 N 1.07 0.97 -0.37 0.50 2.07 -0.95 -2.19 116.25 117.35 3m79 h VAL 16 Ca 0.23 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3m79 h VAL 16 Cb 0.31 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3m79 h VAL 16 CO -0.01 0.09 0.18 0.40 0.02 0.00 0.00 177.57 178.26 3m79 h ILE 17 N 0.50 0.98 -0.60 4.57 2.04 -0.97 -1.15 117.51 122.88 3m79 h ILE 17 Ca 0.22 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.98 3m79 h ILE 17 Cb 0.11 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3m79 h ILE 17 CO -0.14 0.07 0.40 -0.33 0.00 0.00 0.00 178.15 178.14 3m79 h GLU 18 N 0.38 0.66 -0.08 2.37 5.08 -1.02 -2.65 114.58 119.33 3m79 h GLU 18 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3m79 h GLU 18 Cb 0.06 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3m79 h GLU 18 CO -0.11 0.44 0.00 1.63 -1.00 0.00 0.00 179.01 179.97 3m79 n LYS 19 N -4.47 2.19 -2.19 2.33 5.02 -0.86 -5.01 118.16 115.18 3m79 n LYS 19 Ca 0.07 -1.75 -0.38 0.00 -2.02 0.00 0.00 58.31 54.24 3m79 n LYS 19 Cb 0.15 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 3m79 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m79 s ALA 20 N -1.93 3.01 -0.46 7.82 0.00 -0.46 -4.97 121.76 124.78 3m79 s ALA 20 Ca 0.31 1.01 0.12 0.00 0.00 0.00 0.00 51.96 53.41 3m79 s ALA 20 Cb 0.20 -3.41 -0.15 0.00 0.00 0.00 0.00 23.12 19.77 3m79 s ALA 20 CO 0.31 -0.73 0.47 -0.40 0.00 0.00 0.00 175.76 175.41 3m79 n ASP 21 N -0.39 0.90 -4.14 0.00 5.68 -1.26 -5.05 116.55 112.30 3m79 n ASP 21 Ca 0.07 -0.62 -0.09 0.00 -0.50 0.00 0.00 54.79 53.64 3m79 n ASP 21 Cb 0.47 1.12 -0.10 0.00 -1.14 0.00 0.00 41.12 41.47 3m79 n ASP 21 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3m79 s ASN 22 N -2.44 0.92 0.29 -1.12 2.20 -1.26 -5.06 114.94 108.47 3m79 s ASN 22 Ca 0.03 -0.99 -0.00 0.00 -0.94 0.00 0.00 52.86 50.96 3m79 s ASN 22 Cb 0.09 0.13 0.44 0.00 -2.00 0.00 0.00 41.25 39.90 3m79 s ASN 22 CO 0.51 -0.50 1.83 0.00 -2.94 0.00 0.00 177.10 176.00 3m79 h ALA 23 N 3.08 1.24 -0.81 3.54 0.00 -1.91 -2.96 119.26 121.44 3m79 h ALA 23 Ca -0.35 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.39 3m79 h ALA 23 Cb 1.16 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3m79 h ALA 23 CO 0.64 0.52 0.52 0.00 0.00 0.00 0.00 179.25 180.93 3m79 h ALA 24 N 1.37 1.08 -0.40 0.00 0.00 -1.97 0.18 119.26 119.52 3m79 h ALA 24 Ca 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3m79 h ALA 24 Cb 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3m79 h ALA 24 CO 0.00 0.33 0.15 1.96 0.00 0.00 0.00 179.25 181.69 3m79 h GLN 25 N 1.00 0.60 -0.24 0.00 4.20 -1.96 -1.75 115.11 116.97 3m79 h GLN 25 Ca 0.33 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 3m79 h GLN 25 Cb 0.03 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3m79 h GLN 25 CO -0.12 0.58 0.08 0.28 -0.67 0.00 0.00 178.83 178.97 3m79 h VAL 26 N 0.49 1.19 -0.30 -0.54 2.07 -1.34 -2.13 116.25 115.70 3m79 h VAL 26 Ca 0.13 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.11 3m79 h VAL 26 Cb 0.21 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3m79 h VAL 26 CO -0.01 0.19 -0.05 0.11 0.02 0.00 0.00 177.57 177.84 3m79 h LYS 27 N 0.22 0.03 -0.23 1.57 1.57 -0.60 -0.42 116.57 118.71 3m79 h LYS 27 Ca 0.08 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3m79 h LYS 27 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3m79 h LYS 27 CO -0.00 0.02 0.13 0.22 -0.57 0.00 0.00 179.45 179.24 3m79 h ASP 28 N 0.03 0.20 -0.46 0.86 1.82 -1.27 -1.45 116.42 116.15 3m79 h ASP 28 Ca 0.14 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.75 3m79 h ASP 28 Cb 0.21 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 3m79 h ASP 28 CO -0.28 0.15 0.13 0.00 -1.61 0.00 0.00 179.24 177.62 3m79 h ALA 29 N 1.11 0.60 -0.59 -0.78 0.00 -1.06 -2.17 119.26 116.37 3m79 h ALA 29 Ca 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3m79 h ALA 29 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3m79 h ALA 29 CO -0.05 0.27 0.15 -0.07 0.00 0.00 0.00 179.25 179.55 3m79 h LEU 30 N 0.60 0.85 -0.55 0.00 3.38 -0.96 -0.78 115.31 117.85 3m79 h LEU 30 Ca 0.14 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3m79 h LEU 30 Cb 0.30 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3m79 h LEU 30 CO -0.00 0.82 0.33 0.74 0.09 0.00 0.00 178.44 180.42 3m79 h THR 31 N 0.88 1.16 -0.47 0.22 2.02 -1.06 -0.24 112.91 115.42 3m79 h THR 31 Ca 0.19 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3m79 h THR 31 Cb 0.30 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3m79 h THR 31 CO -0.00 0.17 0.17 0.11 0.37 0.00 0.00 175.52 176.34 3m79 h LYS 32 N 0.74 0.71 -0.75 6.66 1.57 -1.03 -2.43 116.57 122.04 3m79 h LYS 32 Ca 0.20 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3m79 h LYS 32 Cb -0.02 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3m79 h LYS 32 CO -0.04 0.66 0.48 0.52 -0.57 0.00 0.00 179.45 180.50 3m79 h MET 33 N 0.62 0.93 -0.73 3.15 2.86 -0.90 -1.29 114.93 119.56 3m79 h MET 33 Ca 0.15 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 3m79 h MET 33 Cb 0.22 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 31.62 3m79 h MET 33 CO -0.01 0.62 0.43 0.00 1.06 0.00 0.00 176.91 179.00 3m79 h ALA 34 N 1.30 0.98 -0.32 6.32 0.00 -0.84 0.21 119.26 126.91 3m79 h ALA 34 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3m79 h ALA 34 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3m79 h ALA 34 CO -0.09 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3m79 h ALA 35 N 1.36 0.44 -0.40 0.00 0.00 -1.06 -1.57 119.26 118.02 3m79 h ALA 35 Ca 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3m79 h ALA 35 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3m79 h ALA 35 CO -0.17 0.19 0.17 0.00 0.00 0.00 0.00 179.25 179.44 3m79 h ALA 36 N 0.85 0.52 -0.58 0.00 0.00 -0.93 -1.20 119.26 117.92 3m79 h ALA 36 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m79 h ALA 36 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3m79 h ALA 36 CO 0.02 0.11 0.38 0.00 0.00 0.00 0.00 179.25 179.75 3m79 h ALA 37 N 1.02 0.74 -0.85 0.00 0.00 -0.93 -0.58 119.26 118.66 3m79 h ALA 37 Ca 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3m79 h ALA 37 Cb 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3m79 h ALA 37 CO -0.01 0.19 0.57 0.00 0.00 0.00 0.00 179.25 179.99 3m79 h ALA 38 N 1.20 1.09 0.00 0.00 0.00 -1.15 -2.71 119.26 117.69 3m79 h ALA 38 Ca 0.21 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3m79 h ALA 38 Cb -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3m79 h ALA 38 CO -0.04 0.48 -0.55 0.22 0.00 0.00 0.00 179.25 179.36 3m79 h ASP 39 N 1.15 0.00 1.41 0.00 3.58 -0.76 -2.92 116.42 118.89 3m79 h ASP 39 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 3m79 h ASP 39 Cb -0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.93 3m79 h ASP 39 CO -0.07 0.55 0.00 0.00 -2.88 0.00 0.00 179.24 176.84 3m79 h ALA 40 N 1.45 1.00 -0.92 -0.78 0.00 -0.82 -3.38 119.26 115.82 3m79 h ALA 40 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 3m79 h ALA 40 Cb 1.02 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.65 3m79 h ALA 40 CO 0.07 0.00 -0.29 1.87 0.00 0.00 0.00 179.25 180.90 3m79 n TRP 41 N -2.64 0.19 0.89 0.00 -0.00 -1.06 -1.45 117.44 113.37 3m79 n TRP 41 Ca 0.04 1.13 0.11 0.00 -0.00 0.00 0.00 57.50 58.78 3m79 n TRP 41 Cb 0.40 -0.95 0.30 0.00 -0.00 0.00 0.00 31.31 31.07 3m79 n TRP 41 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 3m79 n SER 42 N -5.43 2.39 -4.78 5.87 3.41 -1.26 -4.82 113.62 109.00 3m79 n SER 42 Ca 0.12 -1.83 -0.36 0.00 -0.26 0.00 0.00 58.87 56.55 3m79 n SER 42 Cb 0.42 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 3m79 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m79 s ALA 43 N -1.70 2.95 -0.26 7.33 0.00 -0.53 -5.04 121.76 124.52 3m79 s ALA 43 Ca 0.34 0.72 -0.06 0.00 0.00 0.00 0.00 51.96 52.97 3m79 s ALA 43 Cb 0.20 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 3m79 s ALA 43 CO 0.28 -0.38 0.05 0.99 0.00 0.00 0.00 175.76 176.70 3m79 s THR 44 N -1.76 3.95 0.48 0.00 2.01 -1.26 -5.01 115.64 114.05 3m79 s THR 44 Ca 0.63 -0.44 -0.22 0.00 0.31 0.00 0.00 61.69 61.97 3m79 s THR 44 Cb -0.21 -2.91 -0.07 0.00 0.01 0.00 0.00 72.50 69.32 3m79 s THR 44 CO 0.26 0.26 1.16 -2.16 -0.69 0.00 0.00 174.62 173.46 3m79 s PRO 45 N 1.54 3.66 0.30 4.92 0.04 -1.26 -4.88 135.00 139.32 3m79 s PRO 45 Ca 0.05 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.90 3m79 s PRO 45 Cb -0.16 -2.32 0.78 0.00 0.04 0.00 0.00 34.50 32.85 3m79 s PRO 45 CO 0.01 -0.63 1.70 -1.35 0.04 0.00 0.00 177.00 176.78 3m79 h PRO 46 N 1.86 0.43 0.00 0.56 0.11 -1.99 0.69 132.00 133.65 3m79 h PRO 46 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m79 h PRO 46 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3m79 h PRO 46 CO 0.59 0.28 0.00 0.87 -0.21 0.00 0.00 178.00 179.54 3m79 h LYS 47 N 0.44 0.00 -0.19 1.05 1.57 -1.92 -2.76 116.57 114.75 3m79 h LYS 47 Ca 0.59 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 3m79 h LYS 47 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3m79 h LYS 47 CO -0.52 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.64 3m79 n LEU 48 N -2.31 3.06 -0.18 2.94 4.77 0.21 -4.73 117.00 120.75 3m79 n LEU 48 Ca 0.02 -2.65 0.08 0.00 -0.03 0.00 0.00 56.01 53.43 3m79 n LEU 48 Cb 0.22 -0.37 0.38 0.00 -2.33 0.00 0.00 43.42 41.32 3m79 n LEU 48 CO 0.19 0.67 1.21 -0.33 -1.33 0.00 0.00 177.39 177.81 3m79 h GLU 49 N 1.22 0.67 -0.12 3.23 5.08 -1.17 -1.90 114.58 121.58 3m79 h GLU 49 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3m79 h GLU 49 Cb 1.05 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3m79 h GLU 49 CO 0.09 0.44 0.00 -0.40 -1.00 0.00 0.00 179.01 178.15 3m79 n ASP 50 N -4.49 1.49 -4.91 1.42 5.68 -1.26 -4.89 116.55 109.59 3m79 n ASP 50 Ca 0.12 -1.63 -0.30 0.00 -0.50 0.00 0.00 54.79 52.48 3m79 n ASP 50 Cb 0.29 -0.07 -0.04 0.00 -1.14 0.00 0.00 41.12 40.16 3m79 n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3m79 s LYS 51 N -1.85 3.56 0.46 0.11 -0.14 -0.72 -5.09 119.74 116.08 3m79 s LYS 51 Ca 0.33 -0.22 -0.24 0.00 -1.36 0.00 0.00 55.97 54.49 3m79 s LYS 51 Cb 0.18 -2.86 -0.07 0.00 -1.68 0.00 0.00 37.83 33.40 3m79 s LYS 51 CO 0.28 0.45 1.28 0.45 -0.76 0.00 0.00 175.35 177.04 3m79 s SER 52 N -2.74 5.97 0.48 2.83 0.15 -1.26 -4.91 113.70 114.22 3m79 s SER 52 Ca 0.40 2.59 0.32 0.00 0.70 0.00 0.00 55.95 59.95 3m79 s SER 52 Cb -0.12 -2.63 1.72 0.00 -1.71 0.00 0.00 66.02 63.29 3m79 s SER 52 CO 0.27 -1.08 1.97 -0.65 1.20 0.00 0.00 173.24 174.95 3m79 h PRO 53 N 2.15 0.00 -0.43 5.44 0.11 -1.98 -1.04 132.00 136.24 3m79 h PRO 53 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3m79 h PRO 53 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3m79 h PRO 53 CO 0.60 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.92 3m79 n ASP 54 N -2.62 3.36 -4.76 -2.05 2.03 -1.26 -4.57 116.55 106.68 3m79 n ASP 54 Ca -0.02 -1.95 -0.33 0.00 0.52 0.00 0.00 54.79 53.01 3m79 n ASP 54 Cb 0.07 -0.28 0.06 0.00 -0.72 0.00 0.00 41.12 40.25 3m79 n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3m79 s SER 55 N -1.24 4.82 0.35 1.67 1.04 -0.40 -4.83 113.70 115.12 3m79 s SER 55 Ca 0.36 2.07 0.10 0.00 0.48 0.00 0.00 55.95 58.96 3m79 s SER 55 Cb 0.20 -2.56 0.84 0.00 0.10 0.00 0.00 66.02 64.61 3m79 s SER 55 CO 0.28 -1.83 1.84 -0.65 0.98 0.00 0.00 173.24 173.86 3m79 h PRO 56 N -0.16 0.65 -0.32 4.02 0.11 -1.95 -1.42 132.00 132.93 3m79 h PRO 56 Ca -0.47 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3m79 h PRO 56 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3m79 h PRO 56 CO 0.53 0.43 0.07 0.93 -0.21 0.00 0.00 178.00 179.74 3m79 h GLU 57 N 0.67 0.53 -0.37 1.05 3.07 -1.92 -1.00 114.58 116.61 3m79 h GLU 57 Ca 0.49 -0.13 -0.11 0.00 -0.50 0.00 0.00 59.36 59.10 3m79 h GLU 57 Cb 0.86 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 3m79 h GLU 57 CO -0.25 0.60 -0.23 0.52 -1.40 0.00 0.00 179.01 178.25 3m79 h MET 58 N 0.37 0.73 -0.29 2.33 2.86 -1.64 0.24 114.93 119.54 3m79 h MET 58 Ca 0.10 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3m79 h MET 58 Cb 0.32 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3m79 h MET 58 CO 0.00 0.90 0.17 0.45 1.06 0.00 0.00 176.91 179.49 3m79 h HIS 59 N 0.64 0.37 -0.53 -0.22 3.86 -1.23 -1.15 115.15 116.89 3m79 h HIS 59 Ca 0.09 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 3m79 h HIS 59 Cb 0.73 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 3m79 h HIS 59 CO 0.04 0.27 -0.01 0.22 0.86 0.00 0.00 177.93 179.31 3m79 h ASP 60 N 0.37 0.87 -0.03 2.45 3.58 -0.87 -0.01 116.42 122.79 3m79 h ASP 60 Ca 0.10 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.32 3m79 h ASP 60 Cb 0.00 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.82 3m79 h ASP 60 CO -0.02 0.94 0.02 0.15 -2.88 0.00 0.00 179.24 177.45 3m79 h PHE 61 N 0.83 0.03 -0.41 0.28 3.57 -0.37 -2.45 116.94 118.42 3m79 h PHE 61 Ca 0.15 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3m79 h PHE 61 Cb 0.51 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3m79 h PHE 61 CO 0.03 0.02 0.03 0.00 -2.23 0.00 0.00 178.31 176.16 3m79 h ARG 62 N 0.03 0.65 -0.96 1.11 3.08 -1.06 -2.81 114.38 114.41 3m79 h ARG 62 Ca 0.01 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 59.95 3m79 h ARG 62 Cb -0.00 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 3m79 h ARG 62 CO -0.00 0.65 0.63 1.25 -1.07 0.00 0.00 179.97 181.43 3m79 h HIS 63 N 0.62 1.19 -0.80 3.04 2.76 -0.72 -1.84 115.15 119.39 3m79 h HIS 63 Ca 0.13 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.40 3m79 h HIS 63 Cb 0.35 -0.40 -0.05 0.00 1.55 0.00 0.00 27.41 28.86 3m79 h HIS 63 CO 0.02 0.70 0.52 0.78 -1.30 0.00 0.00 177.93 178.65 3m79 h GLY 64 N 1.24 1.11 1.27 5.26 0.00 -1.17 -1.55 103.07 109.22 3m79 h GLY 64 Ca 0.38 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 3m79 h GLY 64 CO -0.11 0.24 -0.31 0.74 0.00 0.00 0.00 176.54 177.10 3m79 h PHE 65 N 0.85 0.95 -0.62 5.60 -1.00 -1.35 -1.10 116.94 120.26 3m79 h PHE 65 Ca 0.35 -0.25 0.04 0.00 2.81 0.00 0.00 57.97 60.92 3m79 h PHE 65 Cb 0.27 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.57 3m79 h PHE 65 CO -0.00 1.02 0.36 -1.49 -1.61 0.00 0.00 178.31 176.59 3m79 h TRP 66 N 0.69 0.67 -0.12 -0.55 6.55 -0.89 -0.08 115.95 122.22 3m79 h TRP 66 Ca 0.08 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.94 3m79 h TRP 66 Cb 0.86 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.94 3m79 h TRP 66 CO 0.05 0.35 0.06 0.82 -1.05 0.00 0.00 178.44 178.67 3m79 h ILE 67 N 0.69 1.09 -0.25 1.49 1.08 -1.16 -1.25 117.51 119.19 3m79 h ILE 67 Ca 0.26 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 3m79 h ILE 67 Cb 0.10 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 3m79 h ILE 67 CO -0.14 0.08 0.06 0.25 -0.69 0.00 0.00 178.15 177.71 3m79 h LEU 68 N 0.10 0.03 -0.60 1.44 5.85 -1.04 -1.73 115.31 119.36 3m79 h LEU 68 Ca 0.04 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3m79 h LEU 68 Cb 0.07 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3m79 h LEU 68 CO -0.01 0.05 0.30 0.40 -0.34 0.00 0.00 178.44 178.85 3m79 h ILE 69 N 0.16 0.92 -0.77 4.05 2.04 -0.89 -0.39 117.51 122.64 3m79 h ILE 69 Ca 0.11 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3m79 h ILE 69 Cb 0.11 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 3m79 h ILE 69 CO -0.14 0.10 0.50 1.23 0.00 0.00 0.00 178.15 179.84 3m79 h GLY 70 N 0.56 1.08 1.50 5.37 0.00 -0.96 -1.62 103.07 109.00 3m79 h GLY 70 Ca 0.27 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 47.05 3m79 h GLY 70 CO -0.20 0.40 -0.49 1.46 0.00 0.00 0.00 176.54 177.71 3m79 h GLN 71 N 1.04 0.54 -0.42 4.80 4.20 -0.83 -2.29 115.11 122.15 3m79 h GLN 71 Ca 0.28 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 3m79 h GLN 71 Cb -0.11 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3m79 h GLN 71 CO -0.06 0.91 0.10 0.82 -0.67 0.00 0.00 178.83 179.92 3m79 h ILE 72 N 0.43 1.23 -0.20 2.54 2.04 -0.93 -1.47 117.51 121.15 3m79 h ILE 72 Ca 0.02 -0.81 0.06 0.00 1.00 0.00 0.00 64.86 65.13 3m79 h ILE 72 Cb 1.01 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 3m79 h ILE 72 CO 0.09 0.28 -0.23 -0.74 0.00 0.00 0.00 178.15 177.56 3m79 h HIS 73 N 0.54 -0.60 -0.39 1.37 2.76 -1.20 -0.28 115.15 117.35 3m79 h HIS 73 Ca 0.13 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 3m79 h HIS 73 Cb 0.33 0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 3m79 h HIS 73 CO 0.02 -0.30 0.14 0.22 -1.30 0.00 0.00 177.93 176.71 3m79 h ASP 74 N -0.25 0.55 -0.92 3.26 3.58 -1.33 -2.58 116.42 118.73 3m79 h ASP 74 Ca 0.12 -0.18 0.07 0.00 0.42 0.00 0.00 57.03 57.46 3m79 h ASP 74 Cb 0.44 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.28 3m79 h ASP 74 CO -0.34 0.58 0.60 0.00 -2.88 0.00 0.00 179.24 177.19 3m79 h ALA 75 N 0.99 1.50 -0.48 -0.78 0.00 -1.04 -2.32 119.26 117.12 3m79 h ALA 75 Ca 0.13 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3m79 h ALA 75 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3m79 h ALA 75 CO -0.01 0.36 -0.07 1.25 0.00 0.00 0.00 179.25 180.78 3m79 h LEU 76 N 1.05 0.84 -0.27 0.00 5.85 -0.80 -1.47 115.31 120.52 3m79 h LEU 76 Ca 0.40 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3m79 h LEU 76 Cb 0.20 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3m79 h LEU 76 CO -0.15 0.95 0.08 0.45 -0.34 0.00 0.00 178.44 179.43 3m79 h HIS 77 N 0.78 0.14 -0.61 1.25 3.86 -1.04 0.92 115.15 120.46 3m79 h HIS 77 Ca 0.14 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.42 3m79 h HIS 77 Cb 0.57 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.96 3m79 h HIS 77 CO 0.03 0.06 0.32 -0.07 0.86 0.00 0.00 177.93 179.13 3m79 h LEU 78 N 0.20 0.45 -0.92 2.43 3.38 -1.24 -1.13 115.31 118.48 3m79 h LEU 78 Ca 0.12 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3m79 h LEU 78 Cb 0.10 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3m79 h LEU 78 CO -0.13 0.29 0.16 0.00 0.09 0.00 0.00 178.44 178.85 3m79 h ALA 79 N 1.33 1.12 0.00 1.53 0.00 -0.91 -1.70 119.26 120.64 3m79 h ALA 79 Ca 0.28 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3m79 h ALA 79 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3m79 h ALA 79 CO -0.19 0.59 -0.28 -0.91 0.00 0.00 0.00 179.25 178.46 3m79 h ASN 80 N 0.92 0.00 0.29 0.00 2.35 -0.24 -0.66 115.58 118.23 3m79 h ASN 80 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3m79 h ASN 80 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3m79 h ASN 80 CO -0.00 0.28 0.00 -0.62 -1.65 0.00 0.00 177.43 175.44 3m79 n GLU 81 N -4.07 0.63 -0.97 0.81 1.02 -0.48 -4.89 120.64 112.69 3m79 n GLU 81 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3m79 n GLU 81 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3m79 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m79 n GLY 82 N 0.98 0.51 3.41 0.62 0.00 -0.26 -4.97 105.19 105.49 3m79 n GLY 82 Ca 0.17 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 3m79 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m79 n LYS 83 N -2.97 3.35 0.17 1.61 5.02 -0.66 -4.84 118.16 119.83 3m79 n LYS 83 Ca 0.00 -3.67 -0.14 0.00 -2.02 0.00 0.00 58.31 52.48 3m79 n LYS 83 Cb 0.00 -3.13 -0.07 0.00 -0.02 0.00 0.00 35.03 31.81 3m79 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3m79 h VAL 84 N 4.72 0.45 -0.64 -0.18 2.07 -1.89 -0.41 116.25 120.38 3m79 h VAL 84 Ca 0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.88 3m79 h VAL 84 Cb 0.84 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3m79 h VAL 84 CO 1.35 0.00 0.41 0.11 0.02 0.00 0.00 177.57 179.46 3m79 h LYS 85 N -0.55 0.86 -0.66 1.57 1.79 -1.97 0.11 116.57 117.73 3m79 h LYS 85 Ca -0.01 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.35 3m79 h LYS 85 Cb 0.51 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 3m79 h LYS 85 CO -0.06 0.58 0.18 0.93 -1.08 0.00 0.00 179.45 180.01 3m79 h GLU 86 N 0.87 1.02 -0.41 3.15 3.07 -1.92 -0.54 114.58 119.83 3m79 h GLU 86 Ca 0.23 -0.22 -0.13 0.00 -0.50 0.00 0.00 59.36 58.75 3m79 h GLU 86 Cb -0.08 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 3m79 h GLU 86 CO -0.05 0.89 -0.24 0.00 -1.40 0.00 0.00 179.01 178.21 3m79 h ALA 87 N 1.22 0.58 -0.77 3.43 0.00 -0.47 -0.59 119.26 122.66 3m79 h ALA 87 Ca 0.21 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3m79 h ALA 87 Cb 0.31 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3m79 h ALA 87 CO -0.00 0.58 0.34 1.96 0.00 0.00 0.00 179.25 182.12 3m79 h GLN 88 N 0.71 1.13 -0.57 0.00 4.20 -0.61 0.37 115.11 120.34 3m79 h GLN 88 Ca 0.09 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 3m79 h GLN 88 Cb 0.81 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 3m79 h GLN 88 CO 0.07 0.90 0.19 0.00 -0.67 0.00 0.00 178.83 179.32 3m79 h ALA 89 N 1.17 0.75 -0.84 3.87 0.00 -0.97 -1.04 119.26 122.21 3m79 h ALA 89 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3m79 h ALA 89 Cb 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3m79 h ALA 89 CO -0.03 0.40 0.53 0.00 0.00 0.00 0.00 179.25 180.16 3m79 h ALA 90 N 1.06 1.06 -0.45 0.00 0.00 -0.75 -1.45 119.26 118.73 3m79 h ALA 90 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3m79 h ALA 90 Cb 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3m79 h ALA 90 CO -0.01 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3m79 h ALA 91 N 1.29 1.15 -0.79 0.00 0.00 -0.69 -2.45 119.26 117.77 3m79 h ALA 91 Ca 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3m79 h ALA 91 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3m79 h ALA 91 CO -0.06 0.55 0.49 0.93 0.00 0.00 0.00 179.25 181.15 3m79 h GLU 92 N 0.70 1.07 0.00 0.00 4.39 -0.68 -2.20 114.58 117.87 3m79 h GLU 92 Ca 0.14 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3m79 h GLU 92 Cb 0.42 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3m79 h GLU 92 CO 0.02 0.74 -0.06 1.96 -1.16 0.00 0.00 179.01 180.51 3m79 h GLN 93 N 1.08 0.00 -0.40 2.33 4.20 -0.86 -2.02 115.11 119.44 3m79 h GLN 93 Ca 0.29 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.00 3m79 h GLN 93 Cb -0.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3m79 h GLN 93 CO -0.06 0.06 0.27 -0.07 -0.67 0.00 0.00 178.83 178.36 3m79 h LEU 94 N 0.00 0.45 -1.47 1.46 3.38 -0.95 -2.90 115.31 115.28 3m79 h LEU 94 Ca -0.00 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.04 3m79 h LEU 94 Cb 0.20 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3m79 h LEU 94 CO 0.01 0.32 0.46 0.11 0.09 0.00 0.00 178.44 179.43 3m79 h LYS 95 N 0.53 0.59 -0.82 1.13 1.57 -1.42 -0.30 116.57 117.85 3m79 h LYS 95 Ca 0.15 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.00 3m79 h LYS 95 Cb -0.03 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.06 3m79 h LYS 95 CO -0.03 0.39 0.45 0.00 -0.57 0.00 0.00 179.45 179.69 3m79 h THR 97 N 0.73 1.41 -0.16 0.00 2.02 -1.24 -1.67 112.91 114.01 3m79 h THR 97 Ca 0.41 -1.57 0.05 0.00 0.77 0.00 0.00 66.41 66.06 3m79 h THR 97 Cb 0.43 2.21 -0.07 0.00 -1.74 0.00 0.00 68.15 68.99 3m79 h THR 97 CO -0.28 0.45 -0.40 0.00 0.37 0.00 0.00 175.52 175.66 3m79 h ASN 99 N -0.46 1.03 -0.55 0.00 -0.26 -0.51 -1.95 115.58 112.89 3m79 h ASN 99 Ca 0.09 -0.13 -0.02 0.00 -0.56 0.00 0.00 56.30 55.67 3m79 h ASN 99 Cb 0.61 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 3m79 h ASN 99 CO -0.41 0.89 0.26 0.00 -1.06 0.00 0.00 177.43 177.11 3m79 h ALA 100 N 1.27 0.71 -0.23 -0.83 0.00 -1.18 -1.44 119.26 117.56 3m79 h ALA 100 Ca 0.27 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3m79 h ALA 100 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3m79 h ALA 100 CO -0.03 0.27 -0.41 0.00 0.00 0.00 0.00 179.25 179.08 3m79 h HIS 102 N 0.39 0.41 -0.48 0.00 -0.00 -1.30 0.14 115.15 114.31 3m79 h HIS 102 Ca 0.01 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.45 3m79 h HIS 102 Cb 1.01 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 28.29 3m79 h HIS 102 CO 0.08 0.17 0.32 0.37 -0.00 0.00 0.00 177.93 178.87 3m79 h GLN 103 N 0.44 0.49 0.15 2.45 5.75 -1.28 -0.71 115.11 122.41 3m79 h GLN 103 Ca 0.24 -0.03 -0.35 0.00 -0.15 0.00 0.00 58.65 58.37 3m79 h GLN 103 Cb 0.22 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 3m79 h GLN 103 CO -0.21 0.33 -1.81 0.87 -2.65 0.00 0.00 178.83 175.35 3m79 h LYS 104 N 0.51 0.32 0.00 1.69 1.57 -1.40 -3.44 116.57 115.83 3m79 h LYS 104 Ca 0.20 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3m79 h LYS 104 Cb 0.16 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3m79 h LYS 104 CO -0.05 1.26 -0.03 0.66 -0.57 0.00 0.00 179.45 180.73 3m79 n TYR 105 N -3.60 0.00 1.85 -1.35 4.02 0.46 -5.12 117.16 113.42 3m79 n TYR 105 Ca -0.28 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.77 3m79 n TYR 105 Cb 1.04 0.00 0.82 0.00 -0.02 0.00 0.00 39.34 41.18 3m79 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72