#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnj s ASP 2 N 0.00 4.53 0.18 0.00 1.47 -1.26 -4.81 116.67 116.78 3hnj s ASP 2 Ca 0.00 1.12 -0.13 0.00 1.18 0.00 0.00 52.55 54.72 3hnj s ASP 2 Cb 0.00 -1.80 0.17 0.00 -0.34 0.00 0.00 42.92 40.95 3hnj s ASP 2 CO 0.00 -1.92 1.76 0.25 0.68 0.00 0.00 175.17 175.94 3hnj h LEU 3 N -1.06 0.24 -0.74 2.11 6.46 -1.96 -1.50 115.31 118.86 3hnj h LEU 3 Ca -0.47 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 3hnj h LEU 3 Cb 1.29 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.20 3hnj h LEU 3 CO 0.62 0.17 0.47 -0.33 -0.62 0.00 0.00 178.44 178.74 3hnj h GLU 4 N 0.40 0.99 -0.57 1.25 5.08 -1.99 -0.13 114.58 119.61 3hnj h GLU 4 Ca 0.24 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3hnj h GLU 4 Cb 0.23 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3hnj h GLU 4 CO -0.22 0.68 0.26 -0.44 -1.00 0.00 0.00 179.01 178.29 3hnj h ASP 5 N 1.01 0.76 -0.32 1.42 3.32 -1.79 -0.53 116.42 120.29 3hnj h ASP 5 Ca 0.27 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3hnj h ASP 5 Cb -0.08 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3hnj h ASP 5 CO -0.05 0.69 -0.09 0.78 -1.72 0.00 0.00 179.24 178.84 3hnj h ASN 6 N 0.78 0.72 -0.47 6.45 2.35 -0.86 -1.08 115.58 123.47 3hnj h ASN 6 Ca 0.20 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 3hnj h ASN 6 Cb 0.14 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3hnj h ASN 6 CO -0.02 0.85 -0.17 0.24 -1.65 0.00 0.00 177.43 176.68 3hnj h MET 7 N 0.67 0.97 -0.72 0.81 2.86 -0.81 -1.41 114.93 117.31 3hnj h MET 7 Ca 0.12 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 3hnj h MET 7 Cb 0.55 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 3hnj h MET 7 CO 0.03 1.05 0.36 0.93 1.06 0.00 0.00 176.91 180.34 3hnj h GLU 8 N 0.85 1.02 -0.36 1.72 5.08 -0.91 -0.74 114.58 121.24 3hnj h GLU 8 Ca 0.12 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hnj h GLU 8 Cb 0.72 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3hnj h GLU 8 CO 0.06 0.79 0.19 1.15 -1.00 0.00 0.00 179.01 180.19 3hnj h THR 9 N 1.00 1.15 -0.07 1.13 2.02 -1.09 0.01 112.91 117.05 3hnj h THR 9 Ca 0.25 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3hnj h THR 9 Cb 0.09 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3hnj h THR 9 CO -0.03 0.16 0.05 -0.07 0.37 0.00 0.00 175.52 175.99 3hnj h LEU 10 N 0.45 0.09 0.10 2.58 4.07 -1.13 -2.30 115.31 119.16 3hnj h LEU 10 Ca 0.12 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 3hnj h LEU 10 Cb 0.08 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3hnj h LEU 10 CO -0.02 0.08 -0.05 -1.13 -1.08 0.00 0.00 178.44 176.25 3hnj h ASN 11 N 0.09 -0.11 -0.56 -0.43 -1.24 -1.03 -2.05 115.58 110.25 3hnj h ASN 11 Ca 0.03 -0.06 0.01 0.00 0.71 0.00 0.00 56.30 56.99 3hnj h ASN 11 Cb 0.01 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 3hnj h ASN 11 CO -0.01 -0.01 0.36 0.44 -1.29 0.00 0.00 177.43 176.92 3hnj h ASP 12 N -0.19 0.61 0.72 1.15 3.32 -1.00 -2.71 116.42 118.31 3hnj h ASP 12 Ca -0.01 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 3hnj h ASP 12 Cb 0.16 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3hnj h ASP 12 CO 0.02 0.44 -0.66 0.78 -1.72 0.00 0.00 179.24 178.10 3hnj h ASN 13 N 0.73 0.00 -0.65 6.45 4.21 -1.38 -2.01 115.58 122.92 3hnj h ASN 13 Ca 0.21 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.69 3hnj h ASN 13 Cb -0.05 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.12 3hnj h ASN 13 CO -0.06 0.66 0.29 0.25 -1.29 0.00 0.00 177.43 177.28 3hnj h LEU 14 N 0.00 0.87 -0.76 1.61 5.85 -1.23 -1.78 115.31 119.87 3hnj h LEU 14 Ca -0.01 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3hnj h LEU 14 Cb 1.20 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3hnj h LEU 14 CO 0.09 0.78 0.29 0.11 -0.34 0.00 0.00 178.44 179.37 3hnj h LYS 15 N 0.91 1.15 -0.85 1.25 1.79 -1.30 -2.71 116.57 116.82 3hnj h LYS 15 Ca 0.22 -0.22 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 3hnj h LYS 15 Cb 0.16 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.58 3hnj h LYS 15 CO -0.02 0.95 0.56 0.28 -1.08 0.00 0.00 179.45 180.13 3hnj h VAL 16 N 1.11 1.19 -0.34 0.50 2.07 -1.00 -2.80 116.25 116.98 3hnj h VAL 16 Ca 0.25 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3hnj h VAL 16 Cb 0.24 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3hnj h VAL 16 CO -0.02 0.20 0.02 0.40 0.02 0.00 0.00 177.57 178.20 3hnj h ILE 17 N 1.12 1.25 -1.00 4.57 2.04 -1.18 -1.43 117.51 122.89 3hnj h ILE 17 Ca 0.32 -0.92 0.15 0.00 1.00 0.00 0.00 64.86 65.41 3hnj h ILE 17 Cb -0.09 1.18 -0.09 0.00 -0.74 0.00 0.00 36.82 37.08 3hnj h ILE 17 CO -0.08 0.30 0.62 -0.33 0.00 0.00 0.00 178.15 178.67 3hnj h GLU 18 N 0.41 0.85 -0.01 2.37 5.08 -1.31 -2.27 114.58 119.70 3hnj h GLU 18 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hnj h GLU 18 Cb 0.42 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hnj h GLU 18 CO 0.01 0.57 -0.32 1.63 -1.00 0.00 0.00 179.01 179.90 3hnj n LYS 19 N -4.68 1.16 -2.20 2.33 5.02 -1.07 -5.00 118.16 113.73 3hnj n LYS 19 Ca 0.21 -0.84 -0.36 0.00 -2.02 0.00 0.00 58.31 55.30 3hnj n LYS 19 Cb 0.46 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3hnj n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hnj s ALA 20 N -2.42 2.81 -0.22 7.82 0.00 -0.55 -5.00 121.76 124.19 3hnj s ALA 20 Ca 0.23 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 3hnj s ALA 20 Cb 0.19 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.79 3hnj s ALA 20 CO 0.52 -0.81 -0.11 -0.25 0.00 0.00 0.00 175.76 175.11 3hnj n ASP 21 N -0.95 1.89 -4.78 0.00 10.43 -1.26 -5.05 116.55 116.83 3hnj n ASP 21 Ca 0.10 0.42 -0.27 0.00 2.57 0.00 0.00 54.79 57.60 3hnj n ASP 21 Cb 0.49 -0.88 -0.06 0.00 1.84 0.00 0.00 41.12 42.51 3hnj n ASP 21 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hnj s ASN 22 N -6.79 4.37 0.18 -2.24 2.20 -1.26 -5.06 114.94 106.34 3hnj s ASN 22 Ca -0.30 -1.29 -0.13 0.00 -0.94 0.00 0.00 52.86 50.20 3hnj s ASN 22 Cb 0.08 0.00 0.09 0.00 -2.00 0.00 0.00 41.25 39.42 3hnj s ASN 22 CO 0.48 -0.76 1.84 0.00 -2.94 0.00 0.00 177.10 175.72 3hnj h ALA 23 N 1.26 0.74 -0.76 3.54 0.00 -1.96 -3.11 119.26 118.96 3hnj h ALA 23 Ca -0.42 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.48 3hnj h ALA 23 Cb 1.28 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3hnj h ALA 23 CO 0.69 0.19 0.47 0.00 0.00 0.00 0.00 179.25 180.60 3hnj h ALA 24 N 1.20 1.02 -0.39 0.00 0.00 -1.97 0.17 119.26 119.29 3hnj h ALA 24 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3hnj h ALA 24 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hnj h ALA 24 CO -0.04 0.23 0.17 1.96 0.00 0.00 0.00 179.25 181.57 3hnj h GLN 25 N 0.90 0.57 -0.31 0.00 4.20 -1.97 -1.39 115.11 117.10 3hnj h GLN 25 Ca 0.32 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 3hnj h GLN 25 Cb 0.08 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3hnj h GLN 25 CO -0.14 0.53 0.12 0.28 -0.67 0.00 0.00 178.83 178.95 3hnj h VAL 26 N 0.48 1.18 -0.39 -0.54 2.07 -1.37 -2.10 116.25 115.59 3hnj h VAL 26 Ca 0.13 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.12 3hnj h VAL 26 Cb 0.16 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3hnj h VAL 26 CO -0.01 0.19 0.18 0.11 0.02 0.00 0.00 177.57 178.06 3hnj h LYS 27 N 0.36 0.36 -0.41 1.57 1.57 -0.60 -1.67 116.57 117.74 3hnj h LYS 27 Ca 0.10 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3hnj h LYS 27 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3hnj h LYS 27 CO -0.01 0.24 -0.07 0.22 -0.57 0.00 0.00 179.45 179.26 3hnj h ASP 28 N 0.37 0.78 -0.81 0.86 -0.00 -1.18 -2.00 116.42 114.44 3hnj h ASP 28 Ca 0.17 -0.35 -0.04 0.00 -0.00 0.00 0.00 57.03 56.81 3hnj h ASP 28 Cb 0.10 -0.21 -0.04 0.00 -0.00 0.00 0.00 39.33 39.18 3hnj h ASP 28 CO -0.13 0.94 0.33 0.00 -0.00 0.00 0.00 179.24 180.38 3hnj h ALA 29 N 0.86 1.05 -0.52 -0.78 0.00 -1.25 -1.74 119.26 116.87 3hnj h ALA 29 Ca 0.11 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3hnj h ALA 29 Cb 0.58 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hnj h ALA 29 CO 0.03 0.67 -0.13 -0.07 0.00 0.00 0.00 179.25 179.76 3hnj h LEU 30 N 1.18 1.02 -0.87 0.00 3.38 -1.23 -0.74 115.31 118.05 3hnj h LEU 30 Ca 0.27 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3hnj h LEU 30 Cb 0.21 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3hnj h LEU 30 CO -0.02 1.15 0.47 0.74 0.09 0.00 0.00 178.44 180.87 3hnj h THR 31 N 0.89 1.26 -0.59 0.22 2.02 -1.21 0.98 112.91 116.47 3hnj h THR 31 Ca 0.13 -0.65 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 3hnj h THR 31 Cb 0.70 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3hnj h THR 31 CO 0.05 0.29 -0.00 0.11 0.37 0.00 0.00 175.52 176.34 3hnj h LYS 32 N 1.22 1.03 -0.61 6.66 1.57 -1.13 -1.87 116.57 123.45 3hnj h LYS 32 Ca 0.31 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3hnj h LYS 32 Cb 0.04 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3hnj h LYS 32 CO -0.05 1.01 0.26 0.52 -0.57 0.00 0.00 179.45 180.63 3hnj h MET 33 N 0.95 0.91 -0.56 3.15 2.86 -0.72 -2.25 114.93 119.26 3hnj h MET 33 Ca 0.17 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3hnj h MET 33 Cb 0.55 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3hnj h MET 33 CO 0.03 0.76 0.35 0.00 1.06 0.00 0.00 176.91 179.11 3hnj h ALA 34 N 1.11 0.72 -0.61 6.32 0.00 -0.61 -0.63 119.26 125.55 3hnj h ALA 34 Ca 0.21 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hnj h ALA 34 Cb 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3hnj h ALA 34 CO -0.02 0.19 0.38 0.00 0.00 0.00 0.00 179.25 179.80 3hnj h ALA 35 N 1.18 0.79 -0.38 0.00 0.00 -1.22 -1.89 119.26 117.75 3hnj h ALA 35 Ca 0.20 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3hnj h ALA 35 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hnj h ALA 35 CO -0.04 0.13 -0.11 0.00 0.00 0.00 0.00 179.25 179.23 3hnj h ALA 36 N 1.26 0.53 -0.37 0.00 0.00 -1.08 -0.99 119.26 118.61 3hnj h ALA 36 Ca 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hnj h ALA 36 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hnj h ALA 36 CO -0.09 0.41 0.24 0.00 0.00 0.00 0.00 179.25 179.81 3hnj h ALA 37 N 0.83 0.47 -0.53 0.00 0.00 -1.04 -1.18 119.26 117.81 3hnj h ALA 37 Ca 0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3hnj h ALA 37 Cb 0.64 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hnj h ALA 37 CO 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3hnj h ALA 38 N 1.13 1.01 0.00 0.00 0.00 -1.22 -2.39 119.26 117.79 3hnj h ALA 38 Ca 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hnj h ALA 38 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hnj h ALA 38 CO -0.03 0.61 -0.18 0.22 0.00 0.00 0.00 179.25 179.87 3hnj h ASP 39 N 0.83 0.00 0.93 0.00 3.58 -0.96 -2.83 116.42 117.97 3hnj h ASP 39 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 3hnj h ASP 39 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 3hnj h ASP 39 CO 0.02 0.18 -0.12 0.00 -2.88 0.00 0.00 179.24 176.45 3hnj n ALA 40 N -2.20 2.59 -0.19 -0.78 0.00 -0.47 -4.49 120.51 114.97 3hnj n ALA 40 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 3hnj n ALA 40 Cb 0.40 -1.39 0.07 0.00 0.00 0.00 0.00 19.45 18.53 3hnj n ALA 40 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3hnj h TRP 41 N 0.00 -0.19 -0.59 0.00 2.91 -1.35 -1.63 115.95 115.11 3hnj h TRP 41 Ca 0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 3hnj h TRP 41 Cb 0.52 0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.35 3hnj h TRP 41 CO 0.00 -0.21 0.00 0.43 -1.03 0.00 0.00 178.44 177.63 3hnj n SER 42 N -5.35 4.89 -4.77 2.65 7.64 -1.26 -4.83 113.62 112.59 3hnj n SER 42 Ca 0.07 -2.59 -0.38 0.00 1.01 0.00 0.00 58.87 56.98 3hnj n SER 42 Cb 0.32 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 3hnj n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hnj s ALA 43 N -2.15 3.17 -0.32 -0.43 0.00 -0.62 -5.03 121.76 116.38 3hnj s ALA 43 Ca 0.50 0.82 -0.10 0.00 0.00 0.00 0.00 51.96 53.17 3hnj s ALA 43 Cb 0.34 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 3hnj s ALA 43 CO 0.20 -0.29 0.17 0.99 0.00 0.00 0.00 175.76 176.83 3hnj s THR 44 N -1.49 4.73 0.46 0.00 2.01 -1.26 -5.03 115.64 115.06 3hnj s THR 44 Ca 0.55 -0.42 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 3hnj s THR 44 Cb -0.26 -3.43 -0.07 0.00 0.01 0.00 0.00 72.50 68.74 3hnj s THR 44 CO 0.33 0.03 1.16 -2.16 -0.69 0.00 0.00 174.62 173.29 3hnj s PRO 45 N 1.63 3.74 0.30 4.92 0.04 -1.26 -4.87 135.00 139.50 3hnj s PRO 45 Ca 0.05 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.89 3hnj s PRO 45 Cb -0.17 -2.38 0.80 0.00 0.04 0.00 0.00 34.50 32.79 3hnj s PRO 45 CO 0.07 -0.56 1.68 -1.35 0.04 0.00 0.00 177.00 176.88 3hnj h PRO 46 N 2.00 0.34 0.00 0.56 0.11 -1.99 -0.17 132.00 132.85 3hnj h PRO 46 Ca -0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hnj h PRO 46 Cb 1.25 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hnj h PRO 46 CO 0.60 0.22 -0.02 0.87 -0.21 0.00 0.00 178.00 179.47 3hnj h LYS 47 N 0.35 0.00 -0.11 1.05 6.56 -1.93 -2.83 116.57 119.66 3hnj h LYS 47 Ca 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.19 3hnj h LYS 47 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 3hnj h LYS 47 CO -0.57 0.02 0.00 1.28 -2.06 0.00 0.00 179.45 178.11 3hnj n LEU 48 N -3.40 2.80 -0.30 2.94 4.77 -0.11 -4.73 117.00 118.96 3hnj n LEU 48 Ca -0.03 -2.78 0.13 0.00 -0.03 0.00 0.00 56.01 53.30 3hnj n LEU 48 Cb 0.12 -0.37 0.37 0.00 -2.33 0.00 0.00 43.42 41.20 3hnj n LEU 48 CO 0.24 0.67 1.22 -0.33 -1.33 0.00 0.00 177.39 177.86 3hnj h GLU 49 N 0.72 0.68 0.00 3.23 5.08 -1.21 -1.85 114.58 121.23 3hnj h GLU 49 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hnj h GLU 49 Cb 1.02 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3hnj h GLU 49 CO 0.06 0.45 -0.32 -0.25 -1.00 0.00 0.00 179.01 177.95 3hnj n ASP 50 N -4.61 0.46 -4.83 1.42 8.00 -1.26 -4.92 116.55 110.81 3hnj n ASP 50 Ca 0.20 0.17 -0.33 0.00 0.71 0.00 0.00 54.79 55.54 3hnj n ASP 50 Cb 0.53 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 3hnj n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hnj s LYS 51 N -3.06 4.11 0.35 -1.24 -0.14 -0.70 -5.03 119.74 114.04 3hnj s LYS 51 Ca 0.11 1.06 -0.28 0.00 -1.36 0.00 0.00 55.97 55.49 3hnj s LYS 51 Cb 0.16 -2.16 -0.11 0.00 -1.68 0.00 0.00 37.83 34.04 3hnj s LYS 51 CO 0.64 -0.13 1.39 0.45 -0.76 0.00 0.00 175.35 176.94 3hnj s SER 52 N -2.51 6.58 0.63 2.83 0.15 -1.26 -4.90 113.70 115.21 3hnj s SER 52 Ca 0.61 2.85 0.34 0.00 0.70 0.00 0.00 55.95 60.45 3hnj s SER 52 Cb -0.09 -2.66 1.92 0.00 -1.71 0.00 0.00 66.02 63.48 3hnj s SER 52 CO 0.20 -0.69 2.18 -0.65 1.20 0.00 0.00 173.24 175.48 3hnj h PRO 53 N 3.27 0.00 -0.34 5.44 0.11 -1.95 -0.80 132.00 137.72 3hnj h PRO 53 Ca -0.50 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.39 3hnj h PRO 53 Cb 1.23 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.19 3hnj h PRO 53 CO 0.65 0.00 -0.41 -0.25 -0.21 0.00 0.00 178.00 177.79 3hnj n ASP 54 N -3.43 3.01 -4.83 -2.05 10.43 -1.26 -4.65 116.55 113.78 3hnj n ASP 54 Ca -0.01 -3.83 -0.31 0.00 2.57 0.00 0.00 54.79 53.21 3hnj n ASP 54 Cb 0.22 -0.53 0.06 0.00 1.84 0.00 0.00 41.12 42.71 3hnj n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3hnj s SER 55 N -3.08 5.22 0.41 -2.24 1.04 -0.31 -4.88 113.70 109.87 3hnj s SER 55 Ca 0.44 1.46 0.12 0.00 0.48 0.00 0.00 55.95 58.45 3hnj s SER 55 Cb 0.40 -2.31 0.95 0.00 0.10 0.00 0.00 66.02 65.15 3hnj s SER 55 CO -0.02 -1.53 1.97 1.55 0.98 0.00 0.00 173.24 176.19 3hnj h PRO 56 N -0.78 0.50 -0.28 4.02 0.13 -1.96 -1.84 132.00 131.79 3hnj h PRO 56 Ca -0.45 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 3hnj h PRO 56 Cb 1.23 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3hnj h PRO 56 CO 0.59 0.33 0.00 0.93 -0.23 0.00 0.00 178.00 179.62 3hnj h GLU 57 N 0.51 0.49 -0.23 0.86 3.07 -1.93 -1.05 114.58 116.31 3hnj h GLU 57 Ca 0.30 -0.15 -0.12 0.00 -0.50 0.00 0.00 59.36 58.89 3hnj h GLU 57 Cb 0.49 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3hnj h GLU 57 CO -0.09 0.64 -0.35 0.52 -1.40 0.00 0.00 179.01 178.33 3hnj h MET 58 N 0.28 0.50 -0.43 2.33 2.86 -1.72 0.20 114.93 118.94 3hnj h MET 58 Ca 0.08 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 3hnj h MET 58 Cb 0.42 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3hnj h MET 58 CO 0.01 0.78 0.05 0.45 1.06 0.00 0.00 176.91 179.26 3hnj h HIS 59 N 0.42 0.79 -0.60 -0.22 3.86 -1.31 -1.07 115.15 117.02 3hnj h HIS 59 Ca 0.05 -0.12 -0.08 0.00 -1.16 0.00 0.00 60.37 59.06 3hnj h HIS 59 Cb 0.82 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 3hnj h HIS 59 CO 0.03 0.76 0.06 0.22 0.86 0.00 0.00 177.93 179.86 3hnj h ASP 60 N 0.58 0.95 0.03 2.45 3.58 -0.97 -0.24 116.42 122.81 3hnj h ASP 60 Ca 0.13 -0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.36 3hnj h ASP 60 Cb 0.42 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3hnj h ASP 60 CO 0.01 0.97 -0.11 0.15 -2.88 0.00 0.00 179.24 177.38 3hnj h PHE 61 N 0.92 -0.29 -0.83 0.28 3.57 -0.48 -2.66 116.94 117.47 3hnj h PHE 61 Ca 0.18 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3hnj h PHE 61 Cb 0.45 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 3hnj h PHE 61 CO 0.03 -0.17 0.43 0.00 -2.23 0.00 0.00 178.31 176.37 3hnj h ARG 62 N -0.21 1.16 -0.86 1.11 3.08 -1.03 -2.71 114.38 114.93 3hnj h ARG 62 Ca 0.03 -0.15 0.07 0.00 0.07 0.00 0.00 59.98 60.01 3hnj h ARG 62 Cb 0.24 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 3hnj h ARG 62 CO -0.09 0.87 0.56 1.25 -1.07 0.00 0.00 179.97 181.49 3hnj h HIS 63 N 1.16 0.95 -0.81 3.04 2.76 -0.84 -1.06 115.15 120.37 3hnj h HIS 63 Ca 0.29 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.53 3hnj h HIS 63 Cb 0.06 -0.31 -0.05 0.00 1.55 0.00 0.00 27.41 28.66 3hnj h HIS 63 CO 0.01 0.49 0.53 0.78 -1.30 0.00 0.00 177.93 178.44 3hnj h GLY 64 N 0.93 1.13 1.49 5.26 0.00 -1.14 -1.75 103.07 108.99 3hnj h GLY 64 Ca 0.38 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3hnj h GLY 64 CO -0.14 0.31 -0.49 0.74 0.00 0.00 0.00 176.54 176.96 3hnj h PHE 65 N 0.96 0.66 -0.42 5.60 0.05 -1.22 -2.03 116.94 120.54 3hnj h PHE 65 Ca 0.33 -0.22 0.05 0.00 3.82 0.00 0.00 57.97 61.96 3hnj h PHE 65 Cb 0.10 -0.13 -0.05 0.00 2.00 0.00 0.00 35.95 37.87 3hnj h PHE 65 CO -0.00 0.92 0.15 -1.49 -0.18 0.00 0.00 178.31 177.71 3hnj h TRP 66 N 0.43 0.26 -0.39 -0.55 6.55 -0.85 -0.53 115.95 120.86 3hnj h TRP 66 Ca 0.02 0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.91 3hnj h TRP 66 Cb 1.01 -0.05 -0.03 0.00 -0.86 0.00 0.00 29.16 29.22 3hnj h TRP 66 CO 0.04 0.10 0.20 -0.07 -1.05 0.00 0.00 178.44 177.66 3hnj h LEU 67 N 0.31 0.30 -0.24 -4.49 3.38 -1.20 -0.30 115.31 113.07 3hnj h LEU 67 Ca 0.20 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3hnj h LEU 67 Cb 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hnj h LEU 67 CO -0.20 0.22 0.01 0.25 0.09 0.00 0.00 178.44 178.80 3hnj h LEU 68 N 0.41 0.41 -0.42 1.67 5.85 -1.10 -1.87 115.31 120.27 3hnj h LEU 68 Ca 0.17 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.64 3hnj h LEU 68 Cb 0.07 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3hnj h LEU 68 CO -0.11 0.61 0.14 0.40 -0.34 0.00 0.00 178.44 179.13 3hnj h ILE 69 N 0.21 0.85 -0.91 4.05 2.04 -0.95 -1.44 117.51 121.36 3hnj h ILE 69 Ca 0.07 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.86 3hnj h ILE 69 Cb 0.39 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3hnj h ILE 69 CO 0.01 0.05 0.60 1.23 0.00 0.00 0.00 178.15 180.04 3hnj h GLY 70 N 0.29 1.31 1.00 5.37 0.00 -0.93 -1.00 103.07 109.12 3hnj h GLY 70 Ca 0.20 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 3hnj h GLY 70 CO -0.21 0.41 -0.12 0.00 0.00 0.00 0.00 176.54 176.62 3hnj h ALA 71 N 1.36 0.58 -0.51 3.60 0.00 -1.04 -2.77 119.26 120.47 3hnj h ALA 71 Ca 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hnj h ALA 71 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hnj h ALA 71 CO -0.10 0.47 0.27 0.82 0.00 0.00 0.00 179.25 180.71 3hnj h ILE 72 N 0.64 1.18 -0.50 0.00 2.04 -1.09 -2.17 117.51 117.60 3hnj h ILE 72 Ca 0.10 -0.47 0.09 0.00 1.00 0.00 0.00 64.86 65.58 3hnj h ILE 72 Cb 0.66 0.55 -0.10 0.00 -0.74 0.00 0.00 36.82 37.19 3hnj h ILE 72 CO 0.05 0.20 -0.33 -0.74 0.00 0.00 0.00 178.15 177.32 3hnj h HIS 73 N 0.68 -0.92 -0.36 1.37 2.76 -1.04 -0.82 115.15 116.83 3hnj h HIS 73 Ca 0.18 0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 3hnj h HIS 73 Cb 0.07 0.48 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 3hnj h HIS 73 CO -0.01 -0.38 0.03 0.22 -1.30 0.00 0.00 177.93 176.49 3hnj h ASP 74 N -0.20 0.60 -0.99 3.26 1.82 -1.39 -2.68 116.42 116.83 3hnj h ASP 74 Ca 0.20 -0.28 0.08 0.00 -0.39 0.00 0.00 57.03 56.64 3hnj h ASP 74 Cb 0.54 -0.16 -0.07 0.00 0.68 0.00 0.00 39.33 40.32 3hnj h ASP 74 CO -0.61 0.73 0.63 0.00 -1.61 0.00 0.00 179.24 178.38 3hnj h ALA 75 N 0.89 1.41 -0.43 -0.78 0.00 -1.07 -1.99 119.26 117.29 3hnj h ALA 75 Ca 0.11 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3hnj h ALA 75 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hnj h ALA 75 CO 0.01 0.37 -0.18 1.25 0.00 0.00 0.00 179.25 180.70 3hnj h LEU 76 N 1.11 0.83 -0.52 0.00 5.85 -0.99 -1.71 115.31 119.88 3hnj h LEU 76 Ca 0.45 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3hnj h LEU 76 Cb 0.26 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3hnj h LEU 76 CO -0.20 1.00 0.30 0.45 -0.34 0.00 0.00 178.44 179.65 3hnj h HIS 77 N 0.73 0.56 -0.79 1.25 3.86 -1.07 0.16 115.15 119.85 3hnj h HIS 77 Ca 0.11 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 3hnj h HIS 77 Cb 0.69 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.93 3hnj h HIS 77 CO 0.04 0.31 0.50 -0.07 0.86 0.00 0.00 177.93 179.57 3hnj h LEU 78 N 0.60 0.82 -0.62 2.43 3.38 -1.09 -0.01 115.31 120.83 3hnj h LEU 78 Ca 0.21 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 3hnj h LEU 78 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3hnj h LEU 78 CO -0.10 0.57 -0.40 0.00 0.09 0.00 0.00 178.44 178.60 3hnj h ALA 79 N 1.34 0.80 -0.17 1.53 0.00 -1.02 -0.19 119.26 121.53 3hnj h ALA 79 Ca 0.32 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3hnj h ALA 79 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hnj h ALA 79 CO -0.12 0.65 -0.02 -0.91 0.00 0.00 0.00 179.25 178.85 3hnj h ASN 80 N 0.53 0.23 -0.14 0.00 -0.26 -0.24 -2.48 115.58 113.22 3hnj h ASN 80 Ca 0.05 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3hnj h ASN 80 Cb 0.92 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 3hnj h ASN 80 CO 0.08 0.30 0.00 -0.62 -1.06 0.00 0.00 177.43 176.13 3hnj n GLU 81 N -4.36 1.45 -0.98 0.81 1.02 -0.06 -4.90 120.64 113.62 3hnj n GLU 81 Ca -0.00 -0.68 0.00 0.00 -0.02 0.00 0.00 57.16 56.46 3hnj n GLU 81 Cb 0.19 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3hnj n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hnj n GLY 82 N 0.92 0.55 2.69 0.62 0.00 -0.93 -4.95 105.19 104.09 3hnj n GLY 82 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3hnj n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hnj n LYS 83 N -2.28 3.59 -0.12 1.61 5.02 -0.11 -4.80 118.16 121.07 3hnj n LYS 83 Ca 0.00 -3.10 -0.09 0.00 -2.02 0.00 0.00 58.31 53.10 3hnj n LYS 83 Cb 0.05 -2.96 -0.01 0.00 -0.02 0.00 0.00 35.03 32.09 3hnj n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hnj h VAL 84 N 3.52 1.19 -0.29 -0.18 2.07 -1.87 -1.53 116.25 119.15 3hnj h VAL 84 Ca 0.56 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3hnj h VAL 84 Cb 0.53 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 3hnj h VAL 84 CO 1.70 0.21 -0.01 0.11 0.02 0.00 0.00 177.57 179.59 3hnj h LYS 85 N 0.43 0.07 -0.77 1.57 1.57 -1.96 -0.22 116.57 117.26 3hnj h LYS 85 Ca 0.12 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3hnj h LYS 85 Cb 0.19 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 3hnj h LYS 85 CO -0.01 0.05 0.36 0.93 -0.57 0.00 0.00 179.45 180.21 3hnj h GLU 86 N 0.07 1.11 -0.48 3.15 4.39 -1.91 -0.45 114.58 120.46 3hnj h GLU 86 Ca 0.14 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 3hnj h GLU 86 Cb 0.19 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3hnj h GLU 86 CO -0.25 0.86 0.12 0.00 -1.16 0.00 0.00 179.01 178.58 3hnj h ALA 87 N 1.30 0.63 -0.78 3.43 0.00 -0.77 0.21 119.26 123.27 3hnj h ALA 87 Ca 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hnj h ALA 87 Cb 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3hnj h ALA 87 CO -0.03 0.32 0.48 1.96 0.00 0.00 0.00 179.25 181.97 3hnj h GLN 88 N 0.64 1.06 -0.44 0.00 4.20 -0.80 -0.54 115.11 119.23 3hnj h GLN 88 Ca 0.15 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.77 3hnj h GLN 88 Cb 0.33 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3hnj h GLN 88 CO 0.00 0.74 0.29 0.87 -0.67 0.00 0.00 178.83 180.06 3hnj h LYS 89 N 1.07 0.58 -0.68 1.46 1.57 -0.86 -1.90 116.57 117.81 3hnj h LYS 89 Ca 0.28 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3hnj h LYS 89 Cb -0.05 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 3hnj h LYS 89 CO -0.05 0.38 0.25 0.00 -0.57 0.00 0.00 179.45 179.46 3hnj h ALA 90 N 1.16 1.16 -0.49 3.86 0.00 -0.59 -1.76 119.26 122.60 3hnj h ALA 90 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3hnj h ALA 90 Cb -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3hnj h ALA 90 CO -0.04 0.60 0.01 0.00 0.00 0.00 0.00 179.25 179.82 3hnj h ALA 91 N 1.28 1.11 -0.58 0.00 0.00 -0.90 -2.54 119.26 117.64 3hnj h ALA 91 Ca 0.23 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hnj h ALA 91 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hnj h ALA 91 CO -0.02 0.57 0.20 0.93 0.00 0.00 0.00 179.25 180.94 3hnj h GLU 92 N 0.75 0.88 -0.04 0.00 4.39 -0.86 -3.17 114.58 116.52 3hnj h GLU 92 Ca 0.15 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 3hnj h GLU 92 Cb 0.44 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3hnj h GLU 92 CO 0.02 0.78 -0.30 -0.07 -1.16 0.00 0.00 179.01 178.28 3hnj h LEU 93 N 0.80 0.07 0.00 1.33 3.38 -1.11 -2.70 115.31 117.08 3hnj h LEU 93 Ca 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3hnj h LEU 93 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hnj h LEU 93 CO -0.01 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.89 3hnj n LEU 94 N -4.16 0.00 0.07 1.67 -0.00 -0.98 -2.53 117.00 111.08 3hnj n LEU 94 Ca -0.02 0.28 0.16 0.00 -0.00 0.00 0.00 56.01 56.44 3hnj n LEU 94 Cb 0.36 -0.28 0.66 0.00 -0.00 0.00 0.00 43.42 44.16 3hnj n LEU 94 CO 0.39 -0.04 1.15 0.11 -0.00 0.00 0.00 177.39 179.00 3hnj h LYS 95 N 0.00 0.02 0.00 1.47 1.57 -1.58 -1.14 116.57 116.91 3hnj h LYS 95 Ca 0.00 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3hnj h LYS 95 Cb 0.24 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3hnj h LYS 95 CO 0.00 0.01 -0.25 0.00 -0.57 0.00 0.00 179.45 178.64 3hnj h ALA 96 N 1.81 1.42 -0.14 3.86 0.00 -1.71 -0.18 119.26 124.31 3hnj h ALA 96 Ca 0.18 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3hnj h ALA 96 Cb 0.68 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hnj h ALA 96 CO -0.01 0.31 -0.25 0.82 0.00 0.00 0.00 179.25 180.13 3hnj h ILE 97 N 0.00 1.36 -0.22 0.00 2.04 -1.42 -0.83 117.51 118.44 3hnj h ILE 97 Ca -0.00 -1.49 0.05 0.00 1.00 0.00 0.00 64.86 64.42 3hnj h ILE 97 Cb 0.49 1.98 -0.06 0.00 -0.74 0.00 0.00 36.82 38.50 3hnj h ILE 97 CO 0.03 0.44 -0.14 0.00 0.00 0.00 0.00 178.15 178.49 3hnj h ASN 99 N -0.13 0.87 -0.67 0.00 -0.26 -1.00 -1.81 115.58 112.59 3hnj h ASN 99 Ca 0.12 -0.17 -0.07 0.00 -0.56 0.00 0.00 56.30 55.62 3hnj h ASN 99 Cb 0.31 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 3hnj h ASN 99 CO -0.30 0.81 0.14 0.00 -1.06 0.00 0.00 177.43 177.02 3hnj h ALA 100 N 1.10 0.89 -0.24 -0.83 0.00 -1.01 -0.73 119.26 118.44 3hnj h ALA 100 Ca 0.21 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3hnj h ALA 100 Cb 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hnj h ALA 100 CO -0.02 0.63 -0.26 0.00 0.00 0.00 0.00 179.25 179.60 3hnj h HIS 102 N 0.30 0.86 -0.83 0.00 -0.00 -1.12 0.26 115.15 114.62 3hnj h HIS 102 Ca 0.04 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.50 3hnj h HIS 102 Cb 0.82 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 27.89 3hnj h HIS 102 CO 0.08 0.43 0.50 0.37 -0.00 0.00 0.00 177.93 179.31 3hnj h GLN 103 N 0.85 0.87 0.24 2.45 5.75 -1.18 -1.36 115.11 122.73 3hnj h GLN 103 Ca 0.34 -0.05 -0.33 0.00 -0.15 0.00 0.00 58.65 58.46 3hnj h GLN 103 Cb 0.17 -0.20 0.03 0.00 1.07 0.00 0.00 27.48 28.56 3hnj h GLN 103 CO -0.17 0.58 -1.49 0.87 -2.65 0.00 0.00 178.83 175.96 3hnj h LYS 104 N 0.90 0.51 0.00 1.69 1.57 -1.47 -3.43 116.57 116.35 3hnj h LYS 104 Ca 0.38 -0.87 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3hnj h LYS 104 Cb 0.23 0.33 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3hnj h LYS 104 CO -0.19 1.42 0.00 0.66 -0.57 0.00 0.00 179.45 180.76 3hnj n TYR 105 N -3.72 0.00 1.68 -1.35 4.02 0.04 -5.11 117.16 112.71 3hnj n TYR 105 Ca -0.18 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.86 3hnj n TYR 105 Cb 1.09 0.00 0.68 0.00 -0.02 0.00 0.00 39.34 41.09 3hnj n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72